A0A077Z7G9_TRITR Loading...

Aurora kinase

AlphaFold DB , UniProt , Accession A0A077Z7G9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.3	Very low	28.6	Very low	236 Å²	236	139.8 Å²	139.8	100%	1.163	80%	0.796	S	S	*	*				0	109.3	0	-81	176.3	-102.6	0	0	106.8
2	A	33.2	Very low	28.6	Very low	80 Å²	80	136.8 Å²	136.8	66%	0.661	80%	0.801	S	S	*	*			trans	-102.2	112.8	171.9	0	0	0	0	0	105.9	F4	A2-F4 WeakPolarHBondContact O-CD2 3.45Å; A2-F4 PolarHBondContact O-N 3.34Å
3	D	29.7	Very low	28.8	Very low	145 Å²	145	135.5 Å²	135.5	78%	0.775	80%	0.804	S	S	*	*			trans	-66.4	116.2	-175.1	-67.5	-35.7	0	0	0	110.3	V5	D3-V5 PolarHBondContact O-N 3.15Å
4	F	28.9	Very low	28.7	Very low	103 Å²	103	138.6 Å²	138.6	45%	0.452	82%	0.815	S	S	.	*			trans	-79.1	96.6	171.7	-79.8	-97.8	0	0	0	107.9	A2 E54	A2-F4 WeakPolarHBondContact O-CD2 3.45Å; A2-F4 PolarHBondContact O-N 3.34Å; F4-E54 HydrophobicContact CE1-CG 4.46Å
5	V	27.6	Very low	28.8	Very low	136 Å²	136	134.8 Å²	134.8	82%	0.824	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-78.2	126.5	174.4	-177.5	0	0	0	0	109.3	D3	D3-V5 PolarHBondContact O-N 3.15Å
6	A	28.6	Very low	28.6	Very low	80 Å²	80	138.5 Å²	138.5	66%	0.661	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-68.1	160	-174.7	0	0	0	0	0	113.9
7	P	27.9	Very low	28.4	Very low	125 Å²	125	141.4 Å²	141.4	81%	0.812	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-80.2	135	-166.1	-2.4	19.7	0	0	0	113.2	Q9	P7-Q9 PolarHBondContact O-N 2.98Å
8	I	26.5	Very low	28.5	Very low	170 Å²	170	144.9 Å²	144.9	87%	0.872	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-75.2	120	172.3	-61.7	172.1	0	0	0	109
9	Q	26.3	Very low	28.4	Very low	182 Å²	182	142.7 Å²	142.7	85%	0.85	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-71.4	135.9	174.3	-77.8	178.6	-24.5	0	0	111.5	P7	P7-Q9 PolarHBondContact O-N 2.98Å
10	S	28.4	Very low	28.4	Very low	112 Å²	112	142.2 Å²	142.2	78%	0.783	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-76.6	129.6	176.9	54.4	0	0	0	0	112.1
11	N	27.5	Very low	28.4	Very low	169 Å²	169	141.9 Å²	141.9	90%	0.904	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-94.1	117.8	161.3	-81.2	-22.2	0	0	0	109.3
12	A	28.9	Very low	28.3	Very low	104 Å²	104	135.9 Å²	135.9	86%	0.86	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-83.3	134.3	170.7	0	0	0	0	0	109.5
13	S	30.7	Very low	28.1	Very low	120 Å²	120	136.3 Å²	136.3	84%	0.839	82%	0.815	S	S	*	*			trans	-117.7	125.6	166.4	53.3	0	0	0	0	109.8
14	D	27.3	Very low	27.9	Very low	179 Å²	179	138.8 Å²	138.8	96%	0.957	82%	0.821	S	S	*	*			trans	-69.3	127.3	-179.5	-83.3	-49.9	0	0	0	112.2
15	G	29.9	Very low	27.9	Very low	81 Å²	81	142.3 Å²	142.3	84%	0.835	84%	0.839	S	S	*	*			trans	-135.1	98.9	172	0	0	0	0	0	110.6
16	K	25.5	Very low	28.2	Very low	194 Å²	194	141.6 Å²	141.6	84%	0.843	84%	0.838	S	S	*	*			trans	-80.2	146.6	-175	-113.4	171.6	-175.7	168.4	0	112.9
17	K	26.4	Very low	28.6	Very low	188 Å²	188	147.7 Å²	147.7	82%	0.817	85%	0.849	S	S	*	*			trans	82.6	118.7	152.8	-63.7	172.2	176.8	-177.5	0	118.9
18	K	29.2	Very low	29.2	Very low	205 Å²	205	147.1 Å²	147.1	89%	0.891	85%	0.848	S	S	*	*				-172	142.1	87.9	-101.5	179.6	177.7	177.9	0	110.4
19	A	26.3	Very low	30.2	Very low	102 Å²	102	147.1 Å²	147.1	84%	0.843	84%	0.842	S	S	*	*			trans	-83.8	134.6	-178.3	0	0	0	0	0	111.3
20	T	28.5	Very low	31.4	Very low	132 Å²	132	147.3 Å²	147.3	81%	0.81	84%	0.84	S	S	*	*			trans	-136.8	117.9	164.1	34.2	0	0	0	0	109.5
21	T	28.3	Very low	32.6	Very low	137 Å²	137	142.9 Å²	142.9	84%	0.84	81%	0.807	S	S	*	*			trans	12.1	123.3	158.4	50.9	0	0	0	0	119.8	A23	T21-A23 PolarHBondContact O-N 3.07Å
22	A	28.3	Very low	33.9	Very low	110 Å²	110	138.5 Å²	138.5	91%	0.909	79%	0.789	S	S	*	*			trans	-60.6	113.2	175.6	0	0	0	0	0	112.9
23	A	29.7	Very low	35.3	Very low	88 Å²	88	134.1 Å²	134.1	73%	0.727	75%	0.751	S	S	*	*			trans	-95.5	126.8	152.3	0	0	0	0	0	106.8	T21 E25	T21-A23 PolarHBondContact O-N 3.07Å; A23-E25 PolarHBondContact O-N 3.17Å
24	E	26.3	Very low	36.1	Very low	197 Å²	197	134.8 Å²	134.8	92%	0.921	74%	0.741	S	S	*	*			trans	-55.7	107.1	179.2	-71.5	-179.4	140.1	0	0	110.5
25	E	28.9	Very low	36.7	Very low	177 Å²	177	136.6 Å²	136.6	83%	0.827	74%	0.735	S	S	*	*			trans	-66.9	132.4	172.5	-80.6	-172.5	153	0	0	109.5	A23 K27	A23-E25 PolarHBondContact O-N 3.17Å; E25-K27 PolarHBondContact O-N 2.99Å; E25-K27 VanDerWaalsContact O-N 3.15Å
26	P	33.5	Very low	37.4	Very low	122 Å²	122	138 Å²	138	79%	0.792	72%	0.723	S	S	*	*			trans	-61.4	123.5	178.3	-6.7	15.6	0	0	0	109.4	S28	P26-S28 PolarHBondContact O-N 3.43Å
27	K	37.4	Very low	38.1	Very low	207 Å²	207	130.5 Å²	130.5	90%	0.9	70%	0.697	S	S	*	*			trans	-36.5	111.1	175.4	-72.5	179.5	177.1	176.2	0	110.2	E25 K29	E25-K27 PolarHBondContact O-N 2.99Å; E25-K27 VanDerWaalsContact O-N 3.15Å; K27-K29 PolarHBondContact O-N 3.05Å; K27-K29 VanDerWaalsContact O-N 3.17Å
28	S	40	Very low	38.4	Very low	113 Å²	113	128.9 Å²	128.9	79%	0.79	70%	0.697	S	S	*	*			trans	-58.8	122.1	-175.1	76.5	0	0	0	0	109.5	P26 K30	P26-S28 PolarHBondContact O-N 3.43Å; S28-K30 PolarHBondContact O-N 3.38Å
29	K	46.2	Very low	38.5	Very low	171 Å²	171	122.4 Å²	122.4	74%	0.743	69%	0.689	S	S	*	*			trans	-67.8	107.7	172.4	-81.5	-179	175.7	177	0	107.5	K27 L31 V90	K27-K29 PolarHBondContact O-N 3.05Å; K27-K29 VanDerWaalsContact O-N 3.17Å; K29-L31 PolarHBondContact O-N 2.56Å; K29-V90 HydrophobicContact CB-CG1 4.14Å; K29-V90 WeakPolarHBondContact O-CG1 3.15Å
30	K	51.3	Low	39.1	Very low	185 Å²	185	122.3 Å²	122.3	80%	0.804	68%	0.678	S	S	*	*			trans	-69.1	124.9	177.4	-164.3	175	-177.9	-177.2	0	109.3	S28 C32	S28-K30 PolarHBondContact O-N 3.38Å; K30-C32 PolarHBondContact O-N 3.16Å
31	L	54.7	Low	39.1	Very low	19 Å²	19	125.2 Å²	125.2	10%	0.099	68%	0.682	C	S	.	*			trans	-64.6	102.5	173.5	-177.8	74.8	0	0	0	109.4	K29 L33 K86 V90 E95 V126	K29-L31 PolarHBondContact O-N 2.56Å; L31-L33 HydrophobicContact CD2-CD1 4.19Å; L31-L33 HydrophobicContact CD2-CD2 4.27Å; L31-L33 HydrophobicContact CD2-CG 4.14Å; L31-L33 HydrophobicContact CG-CD2 4.3Å; L31-L33 HydrophobicContact CG-CG 4.16Å; L31-K86 HydrophobicContact CD2-CB 4.39Å; L31-K86 HydrophobicContact CD2-CD 4.33Å; L31-K86 HydrophobicContact CD2-CG 3.91Å; L31-V90 HydrophobicContact CB-CG2 3.97Å; L31-E95 HydrophobicContact CD1-CB 3.57Å; L31-E95 HydrophobicContact CD1-CG 3.22Å; L31-V126 HydrophobicContact CD2-CG2 4.15Å
32	C	55.7	Low	39.4	Very low	78 Å²	78	123 Å²	123	53%	0.527	67%	0.672	S	S	.	*			trans	-89.1	102.9	173.3	-78.1	0	0	0	0	109.7	K30	K30-C32 PolarHBondContact O-N 3.16Å
33	L	57.7	Low	39.4	Very low	11 Å²	11	120.7 Å²	120.7	6%	0.058	66%	0.66	C	S	.	*			trans	-87.3	-14.6	170	-64.1	170.2	0	0	0	112.3	L31 R35 I99 W119 H121 V126	L31-L33 HydrophobicContact CD2-CD1 4.19Å; L31-L33 HydrophobicContact CD2-CD2 4.27Å; L31-L33 HydrophobicContact CD2-CG 4.14Å; L31-L33 HydrophobicContact CG-CD2 4.3Å; L31-L33 HydrophobicContact CG-CG 4.16Å; L33-R35 PolarHBondContact O-N 3.16Å; L33-I99 HydrophobicContact CD2-CD1 4.1Å; L33-I99 HydrophobicContact CD2-CG1 3.61Å; L33-W119 HydrophobicContact CB-CH2 4.1Å; L33-W119 HydrophobicContact CB-CZ3 4.35Å; L33-W119 HydrophobicContact CD1-CH2 4.32Å; L33-W119 HydrophobicContact CD1-CZ3 3.78Å; L33-H121 HydrophobicContact CD1-CB 4.46Å; L33-V126 HydrophobicContact CD1-CG1 4.44Å; L33-V126 HydrophobicContact CD1-CG2 3.67Å
34	E	46.3	Very low	39.4	Very low	135 Å²	135	120.5 Å²	120.5	63%	0.631	67%	0.666	S	S	*	*	H	α-helix	trans	-68.4	-29	-171.1	-70.2	168.9	-167.6	0	0	113.9	D36 A37	E34-D36 VanDerWaalsContact C-N 3.29Å; E34-D36 PolarHBondContact O-N 3.04Å; E34-A37 PolarHBondContact O-N 3.2Å
35	R	41.4	Very low	40.3	Very low	216 Å²	216	119.6 Å²	119.6	82%	0.815	66%	0.659	S	S	*	*	H	α-helix	trans	-70.2	-24.6	-176.2	-73.5	-172.4	-177.7	-173	0.1	113.6	L33	L33-R35 PolarHBondContact O-N 3.16Å
36	D	44.4	Very low	41.6	Very low	111 Å²	111	115.9 Å²	115.9	59%	0.594	66%	0.658	S	S	*	*	H	α-helix	trans	-98.8	-16.8	-178.6	-60.5	-26.9	0	0	0	112.3	E34 N38	E34-D36 VanDerWaalsContact C-N 3.29Å; E34-D36 PolarHBondContact O-N 3.04Å; D36-N38 VanDerWaalsContact C-N 3.35Å; D36-N38 PolarHBondContact O-N 3.46Å
37	A	39.8	Very low	44	Very low	37 Å²	37	118.3 Å²	118.3	31%	0.306	66%	0.659	S	S	.	*	H	α-helix	trans	-76.2	-15.8	179.6	0	0	0	0	0	114.3	E34 G39 V40	E34-A37 PolarHBondContact O-N 3.2Å; A37-G39 PolarHBondContact O-N 3.13Å; A37-V40 PolarHBondContact O-N 3.31Å
38	N	32	Very low	46.6	Very low	153 Å²	153	113.5 Å²	113.5	82%	0.818	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-9.2	-179.7	-85.1	-4.5	0	0	0	114.5	D36	D36-N38 VanDerWaalsContact C-N 3.35Å; D36-N38 PolarHBondContact O-N 3.46Å
39	G	31.6	Very low	49.2	Very low	70 Å²	70	110.1 Å²	110.1	72%	0.722	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	-14.4	171.4	0	0	0	0	0	114.6	A37 Q41	A37-G39 PolarHBondContact O-N 3.13Å; G39-Q41 PolarHBondContact O-N 3.02Å
40	V	38.4	Very low	51.5	Low	99 Å²	99	104.8 Å²	104.8	60%	0.6	59%	0.59	S	S	*	*	S	Bend	trans	-99.1	95.6	-179	-170.1	0	0	0	0	107.9	A37 S42	A37-V40 PolarHBondContact O-N 3.31Å; V40-S42 PolarHBondContact O-N 3.5Å
41	Q	28.5	Very low	53.6	Low	193 Å²	193	104.5 Å²	104.5	90%	0.902	59%	0.589	S	S	*	*			trans	-53.9	97.8	174.8	-69.9	-179.5	-0.9	0	0	110.2	G39 G43	G39-Q41 PolarHBondContact O-N 3.02Å; Q41-G43 VanDerWaalsContact C-N 3.29Å; Q41-G43 PolarHBondContact O-N 2.97Å
42	S	36	Very low	55.6	Low	90 Å²	90	106.1 Å²	106.1	63%	0.629	60%	0.598	S	S	*	*			trans	-73.8	85.1	172.1	-177.2	0	0	0	0	108.7	V40 G44	V40-S42 PolarHBondContact O-N 3.5Å; S42-G44 PolarHBondContact O-N 2.97Å
43	G	27.9	Very low	57.5	Low	63 Å²	63	102.6 Å²	102.6	65%	0.649	57%	0.574	S	S	*	*			trans	-68	94.9	166.7	0	0	0	0	0	109.9	Q41 K45	Q41-G43 VanDerWaalsContact C-N 3.29Å; Q41-G43 PolarHBondContact O-N 2.97Å; G43-K45 PolarHBondContact O-N 2.77Å
44	G	30.5	Very low	59.4	Low	83 Å²	83	104.1 Å²	104.1	86%	0.856	58%	0.58	S	S	*	*	S	Bend	trans	53	10.6	154.3	0	0	0	0	0	119.4	S42	S42-G44 PolarHBondContact O-N 2.97Å
45	K	44.9	Very low	61.9	Low	179 Å²	179	100.8 Å²	100.8	78%	0.778	57%	0.566	S	S	*	*			trans	-87.5	123.9	176.8	-80.3	-179.7	177.4	175.5	0	108.7	G43 E47	G43-K45 PolarHBondContact O-N 2.77Å; K45-E47 PolarHBondContact O-N 3.43Å
46	A	55.8	Low	64.5	Low	98 Å²	98	91.5 Å²	91.5	81%	0.81	54%	0.538	S	S	*	.			trans	-44.7	125.4	170	0	0	0	0	0	109.7	W48	A46-W48 PolarHBondContact O-N 3.23Å
47	E	83.5	Confident	66.9	Low	173 Å²	173	93.4 Å²	93.4	81%	0.808	54%	0.537	S	S	*	.			trans	-62.6	130.8	179.5	-69.6	-176.3	161.7	0	0	109.5	K45	K45-E47 PolarHBondContact O-N 3.43Å
48	W	91.7	Very high	69.6	Low	107 Å²	107	95.8 Å²	95.8	41%	0.405	55%	0.549	S	S	.	.			trans	-59.5	142.4	175.2	-82	-55.4	0	0	0	111	A46 F53 F120 I129	A46-W48 PolarHBondContact O-N 3.23Å; W48-F53 HydrophobicContact CB-CE2 4.14Å; W48-F53 HydrophobicContact CB-CZ 4.37Å; W48-F53 AromaticContact CD1-CE2 3.97Å; W48-F53 AromaticContact CD1-CZ 3.68Å; W48-F53 HydrophobicContact CD2-CZ 4.48Å; W48-F53 HydrophobicContact CG-CE2 4.17Å; W48-F53 AromaticContact CG-CZ 3.96Å; W48-F53 HydrophobicContact CG-CZ 3.96Å; W48-F120 HydrophobicContact CB-CB 4.22Å; W48-F120 HydrophobicContact CB-CD1 3.67Å; W48-F120 HydrophobicContact CB-CE1 4.26Å; W48-F120 HydrophobicContact CB-CG 4.05Å; W48-F120 VanDerWaalsContact O-CB 3.24Å; W48-F120 WeakPolarHBondContact O-CB 3.32Å; W48-F120 WeakPolarHBondContact O-CD2 3.37Å; W48-F120 VanDerWaalsContact O-CG 3.29Å; W48-F120 WeakPolarHBondContact O-CG 3.43Å; W48-I129 HydrophobicContact CB-CD1 4.39Å; W48-I129 HydrophobicContact CD2-CD1 3.49Å; W48-I129 VanDerWaalsContact CD2-CD1 3.49Å; W48-I129 HydrophobicContact CE3-CD1 3.4Å; W48-I129 VanDerWaalsContact CE3-CD1 3.4Å; W48-I129 HydrophobicContact CG-CD1 3.97Å; W48-I129 HydrophobicContact CH2-CD1 4.26Å; W48-I129 HydrophobicContact CZ2-CD1 4.35Å; W48-I129 HydrophobicContact CZ3-CD1 3.83Å
49	S	95	Very high	72.4	Confident	42 Å²	42	90.7 Å²	90.7	29%	0.294	52%	0.521	S	S	.	.			trans	-135.3	169.2	173.2	73.8	0	0	0	0	110	K51 D52 F53	S49-K51 PolarHBondContact O-N 3.31Å; S49-K51 PolarHBondContact OG-N 3.36Å; S49-D52 PolarHBondContact N-OD2 3.45Å; S49-D52 WeakPolarHBondContact O-CB 3.45Å; S49-D52 PolarHBondContact O-N 2.82Å; S49-D52 PolarHBondContact OG-OD2 3.48Å; S49-F53 VanDerWaalsContact O-CD2 3.23Å; S49-F53 WeakPolarHBondContact O-CD2 3.25Å; S49-F53 WeakPolarHBondContact O-CE2 3.31Å
50	M	94.5	Very high	75.1	Confident	59 Å²	59	88.5 Å²	88.5	29%	0.291	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-57.4	-23.9	174.4	-79.2	-60.4	-70.3	0	0	113.7	D52 F53 I55 L81 M83 F120 Y127	M50-D52 PolarHBondContact O-N 3.47Å; M50-F53 PolarHBondContact O-N 2.97Å; M50-I55 HydrophobicContact CE-CD1 3.77Å; M50-I55 HydrophobicContact CE-CG1 3.81Å; M50-L81 HydrophobicContact CE-CD2 4.4Å; M50-L81 HydrophobicContact SD-CD2 3.93Å; M50-M83 HydrophobicContact CE-CE 4.41Å; M50-F120 HydrophobicContact CG-CE2 4.05Å; M50-F120 HydrophobicContact CG-CZ 4.31Å; M50-F120 HydrophobicContact SD-CE2 4.25Å; M50-F120 HydrophobicContact SD-CZ 3.96Å; M50-Y127 HydrophobicContact CE-CE1 4.19Å; M50-Y127 HydrophobicContact CG-CE1 3.81Å; M50-Y127 HydrophobicContact CG-CE2 4.29Å; M50-Y127 HydrophobicContact SD-CD1 3.6Å; M50-Y127 VanDerWaalsContact SD-CD1 3.6Å; M50-Y127 HydrophobicContact SD-CE1 3.16Å; M50-Y127 WeakPolarHBondContact SD-CE1 3.42Å; M50-Y127 HydrophobicContact SD-CG 4.46Å
51	K	95.2	Very high	77.3	Confident	178 Å²	178	92.2 Å²	92.2	77%	0.774	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-68	-24.9	179.1	-61.9	176.6	-177.9	174.5	0	112.1	S49 F53 R73	S49-K51 PolarHBondContact O-N 3.31Å; S49-K51 PolarHBondContact OG-N 3.36Å; K51-F53 PolarHBondContact O-N 3.44Å; K51-R73 WeakPolarHBondContact O-CD 3.24Å; K51-R73 PolarHBondContact O-NE 2.93Å
52	D	96.3	Very high	79.6	Confident	54 Å²	54	85 Å²	85	29%	0.289	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-78.6	-6.3	-179	-56	-62.1	0	0	0	112.9	S49 M50 R73	S49-D52 PolarHBondContact N-OD2 3.45Å; S49-D52 WeakPolarHBondContact O-CB 3.45Å; S49-D52 PolarHBondContact O-N 2.82Å; S49-D52 PolarHBondContact OG-OD2 3.48Å; M50-D52 PolarHBondContact O-N 3.47Å; D52-R73 WeakPolarHBondContact O-CB 3.38Å; D52-R73 WeakPolarHBondContact O-CG 3.37Å; D52-R73 PolarHBondContact O-N 3.35Å
53	F	97.2	Very high	81.6	Confident	4 Å²	4	88.6 Å²	88.6	2%	0.018	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	143.4	-177.6	-56.7	-85.1	0	0	0	111.8	W48 S49 M50 K51 I55 R71 E72 R73 I79 F120 I129	W48-F53 HydrophobicContact CB-CE2 4.14Å; W48-F53 HydrophobicContact CB-CZ 4.37Å; W48-F53 AromaticContact CD1-CE2 3.97Å; W48-F53 AromaticContact CD1-CZ 3.68Å; W48-F53 HydrophobicContact CD2-CZ 4.48Å; W48-F53 HydrophobicContact CG-CE2 4.17Å; W48-F53 AromaticContact CG-CZ 3.96Å; W48-F53 HydrophobicContact CG-CZ 3.96Å; S49-F53 VanDerWaalsContact O-CD2 3.23Å; S49-F53 WeakPolarHBondContact O-CD2 3.25Å; S49-F53 WeakPolarHBondContact O-CE2 3.31Å; M50-F53 PolarHBondContact O-N 2.97Å; K51-F53 PolarHBondContact O-N 3.44Å; F53-I55 HydrophobicContact CB-CD1 3.96Å; F53-R71 WeakPolarHBondContact CA-O 3.41Å; F53-E72 HydrophobicContact CD1-CB 4.09Å; F53-E72 HydrophobicContact CD1-CG 4.36Å; F53-E72 HydrophobicContact CE1-CB 3.92Å; F53-E72 HydrophobicContact CE1-CG 3.9Å; F53-E72 HydrophobicContact CZ-CG 4.45Å; F53-R73 PolarHBondContact O-NE 3.16Å; F53-R73 PolarHBondContact O-NH2 3.32Å; F53-I79 HydrophobicContact CD1-CD1 4.29Å; F53-I79 HydrophobicContact CD1-CG1 4.41Å; F53-I79 HydrophobicContact CE1-CD1 4.42Å; F53-I79 HydrophobicContact CE1-CG1 4.42Å; F53-F120 HydrophobicContact CD2-CE1 4.06Å; F53-F120 HydrophobicContact CD2-CZ 4.06Å; F53-F120 HydrophobicContact CE2-CD1 4.3Å; F53-F120 AromaticContact CE2-CE1 3.44Å; F53-F120 HydrophobicContact CE2-CE1 3.44Å; F53-F120 VanDerWaalsContact CE2-CE1 3.44Å; F53-F120 AromaticContact CE2-CZ 3.86Å; F53-F120 HydrophobicContact CE2-CZ 3.86Å; F53-F120 HydrophobicContact CZ-CE1 4.12Å; F53-I129 HydrophobicContact CE1-CD1 4.23Å; F53-I129 HydrophobicContact CE1-CG1 4.33Å; F53-I129 HydrophobicContact CE1-CG2 4.28Å; F53-I129 HydrophobicContact CE2-CD1 4.35Å; F53-I129 HydrophobicContact CZ-CD1 3.53Å; F53-I129 HydrophobicContact CZ-CG1 3.94Å
54	E	97.6	Very high	84.4	Confident	43 Å²	43	87.7 Å²	87.7	20%	0.201	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	112.3	165	-179	-178.2	-177	0	0	107.9	F4 A70 R71	F4-E54 HydrophobicContact CE1-CG 4.46Å; E54-A70 CarbonylContact O-C 3.24Å; E54-A70 WeakPolarHBondContact O-CA 3.36Å; E54-A70 WeakPolarHBondContact O-CB 3.44Å; E54-R71 HydrophobicContact CB-CB 4.39Å; E54-R71 PolarHBondContact N-O 3.3Å; E54-R71 PolarHBondContact O-N 3.27Å; E54-R71 IonicContact OE1-NH2 3.59Å; E54-R71 PolarHBondContact OE1-NH2 3.49Å; E54-R71 IonicContact OE2-CZ 2.59Å; E54-R71 IonicContact OE2-NE 2.75Å; E54-R71 PolarHBondContact OE2-NE 2.96Å; E54-R71 IonicContact OE2-NH2 2.8Å; E54-R71 PolarHBondContact OE2-NH2 3.01Å
55	I	97.2	Very high	87.2	Confident	65 Å²	65	84.7 Å²	84.7	33%	0.333	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.1	-175.8	-49.8	-54.3	0	0	0	109.1	M50 F53 Y68 A70 L81	M50-I55 HydrophobicContact CE-CD1 3.77Å; M50-I55 HydrophobicContact CE-CG1 3.81Å; F53-I55 HydrophobicContact CB-CD1 3.96Å; I55-Y68 HydrophobicContact CG2-CD1 3.79Å; I55-Y68 HydrophobicContact CG2-CG 3.83Å; I55-A70 HydrophobicContact CD1-CB 4Å; I55-L81 HydrophobicContact CD1-CD2 3.49Å; I55-L81 VanDerWaalsContact CD1-CD2 3.49Å
56	G	95.9	Very high	89.6	Confident	21 Å²	21	82.4 Å²	82.4	22%	0.216	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-152	174.5	0	0	0	0	0	112.3	L69	G56-L69 CarbonylContact C-O 3.55Å; G56-L69 VanDerWaalsContact CA-O 3.25Å; G56-L69 WeakPolarHBondContact CA-O 3.25Å; G56-L69 PolarHBondContact N-O 2.77Å
57	R	95.6	Very high	91.5	Very high	151 Å²	151	79.3 Å²	79.3	57%	0.57	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	150.7	-176.3	70.2	-177.6	-179.3	-152	1.3	113	L69	R57-L69 HydrophobicContact CG-CB 4.29Å; R57-L69 HydrophobicContact CG-CD2 4.46Å; R57-L69 PolarHBondContact O-N 2.84Å
58	P	95.6	Very high	92.1	Very high	87 Å²	87	73.2 Å²	73.2	57%	0.565	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	140.6	169.5	28.5	-34.7	0	0	0	111	Y68	P58-Y68 HydrophobicContact CB-CD1 4.28Å; P58-Y68 HydrophobicContact CB-CE1 4.21Å
59	L	92.3	Very high	92.4	Very high	46 Å²	46	69.5 Å²	69.5	24%	0.241	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-32.5	175.8	-64.3	176.2	0	0	0	111.9	V67 L69 A80 Y132	L59-V67 HydrophobicContact CB-CB 4.45Å; L59-V67 HydrophobicContact CB-CG1 4.32Å; L59-V67 HydrophobicContact CD1-CG1 4.33Å; L59-V67 PolarHBondContact N-O 3.07Å; L59-L69 HydrophobicContact CD1-CB 4.11Å; L59-L69 HydrophobicContact CD1-CD1 4.49Å; L59-L69 HydrophobicContact CD2-CB 4.12Å; L59-L69 HydrophobicContact CG-CB 4.1Å; L59-A80 HydrophobicContact CD1-CB 4.07Å; L59-Y132 HydrophobicContact CD1-CD2 3.72Å; L59-Y132 HydrophobicContact CD1-CE2 3.65Å; L59-Y132 HydrophobicContact CD2-CE2 3.83Å; L59-Y132 HydrophobicContact CG-CE2 4.41Å
60	G	87.5	Confident	92.6	Very high	23 Å²	23	67.6 Å²	67.6	24%	0.237	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	165	-178.4	0	0	0	0	0	113.4	V67	G60-V67 PolarHBondContact N-O 3.42Å; G60-V67 PolarHBondContact O-N 3.01Å
61	K	85.5	Confident	92.7	Very high	177 Å²	177	67.9 Å²	67.9	77%	0.77	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.9	115.2	175.3	-176.9	-175	176	-172.9	0	108.3	R66	K61-R66 HydrophobicContact CG-CG 4.44Å
62	G	76.2	Confident	92.8	Very high	42 Å²	42	60.5 Å²	60.5	43%	0.433	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	178.8	173.3	0	0	0	0	0	111.9	F64 G65	G62-F64 VanDerWaalsContact C-N 3.29Å; G62-F64 PolarHBondContact O-N 3.12Å; G62-G65 PolarHBondContact N-O 2.89Å; G62-G65 VanDerWaalsContact O-O 3.14Å
63	K	77.7	Confident	92.8	Very high	166 Å²	166	63.8 Å²	63.8	72%	0.722	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-35.6	178.5	-174.9	174.5	174	-178.1	0	113.4
64	F	86.9	Confident	92.7	Very high	44 Å²	44	72.9 Å²	72.9	19%	0.193	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	7.5	-173	-49.1	-65.5	0	0	0	113.7	G62 L84 S85 Q88 I89 V94	G62-F64 VanDerWaalsContact C-N 3.29Å; G62-F64 PolarHBondContact O-N 3.12Å; F64-L84 HydrophobicContact CB-CD2 4.03Å; F64-S85 PolarHBondContact O-N 3.01Å; F64-Q88 VanDerWaalsContact C-OE1 3.27Å; F64-Q88 HydrophobicContact CD1-CB 4.38Å; F64-Q88 PolarHBondContact O-OE1 3.06Å; F64-I89 HydrophobicContact CB-CG1 4.18Å; F64-I89 HydrophobicContact CD1-CG1 4.46Å; F64-I89 HydrophobicContact CG-CG1 4.24Å; F64-V94 HydrophobicContact CD1-CG2 4.41Å; F64-V94 HydrophobicContact CE1-CG2 3.76Å; F64-V94 HydrophobicContact CE2-CG2 3.94Å; F64-V94 HydrophobicContact CZ-CB 4.29Å; F64-V94 HydrophobicContact CZ-CG1 4.09Å; F64-V94 HydrophobicContact CZ-CG2 3.49Å; F64-V94 VanDerWaalsContact CZ-CG2 3.49Å
65	G	89.9	Confident	92.5	Very high	20 Å²	20	74.5 Å²	74.5	21%	0.206	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.4	-151.6	-176.7	0	0	0	0	0	114.4	G62 M83	G62-G65 PolarHBondContact N-O 2.89Å; G62-G65 VanDerWaalsContact O-O 3.14Å; G65-M83 CarbonylContact C-O 3.57Å; G65-M83 VanDerWaalsContact CA-O 3.27Å; G65-M83 WeakPolarHBondContact CA-O 3.39Å
66	R	94.2	Very high	92.4	Very high	130 Å²	130	77 Å²	77	49%	0.491	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152	-170	-69.3	179.7	179.2	-163.5	2.2	110.8	K61 Y68 M83	K61-R66 HydrophobicContact CG-CG 4.44Å; R66-Y68 HydrophobicContact CB-CD2 4.22Å; R66-Y68 HydrophobicContact CB-CE2 3.45Å; R66-Y68 VanDerWaalsContact CB-CE2 3.45Å; R66-Y68 WeakPolarHBondContact CD-OH 3.33Å; R66-M83 PolarHBondContact N-O 2.99Å; R66-M83 PolarHBondContact O-N 2.98Å
67	V	95.1	Very high	92.4	Very high	33 Å²	33	81 Å²	81	20%	0.2	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	131.3	173.6	-171.4	0	0	0	0	108.1	L59 G60 A80 L81 K82	L59-V67 HydrophobicContact CB-CB 4.45Å; L59-V67 HydrophobicContact CB-CG1 4.32Å; L59-V67 HydrophobicContact CD1-CG1 4.33Å; L59-V67 PolarHBondContact N-O 3.07Å; G60-V67 PolarHBondContact N-O 3.42Å; G60-V67 PolarHBondContact O-N 3.01Å; V67-A80 HydrophobicContact CG1-CB 4.02Å; V67-L81 WeakPolarHBondContact CA-O 3.29Å; V67-K82 HydrophobicContact CG2-CB 4.07Å; V67-K82 HydrophobicContact CG2-CG 4.01Å
68	Y	97.6	Very high	92.5	Very high	45 Å²	45	77 Å²	77	18%	0.176	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	145	179.5	-65.1	-92.8	0	0	0	110.3	I55 P58 R66 A80 L81 M83	I55-Y68 HydrophobicContact CG2-CD1 3.79Å; I55-Y68 HydrophobicContact CG2-CG 3.83Å; P58-Y68 HydrophobicContact CB-CD1 4.28Å; P58-Y68 HydrophobicContact CB-CE1 4.21Å; R66-Y68 HydrophobicContact CB-CD2 4.22Å; R66-Y68 HydrophobicContact CB-CE2 3.45Å; R66-Y68 VanDerWaalsContact CB-CE2 3.45Å; R66-Y68 WeakPolarHBondContact CD-OH 3.33Å; Y68-A80 CarbonylContact O-C 3.57Å; Y68-A80 WeakPolarHBondContact O-CA 3.41Å; Y68-L81 PolarHBondContact N-O 3.4Å; Y68-L81 PolarHBondContact O-N 2.9Å; Y68-M83 HydrophobicContact CD2-CG 4.17Å; Y68-M83 HydrophobicContact CD2-SD 3.56Å; Y68-M83 VanDerWaalsContact CD2-SD 3.56Å; Y68-M83 HydrophobicContact CE2-CG 4.35Å; Y68-M83 HydrophobicContact CE2-SD 3.47Å; Y68-M83 WeakPolarHBondContact CE2-SD 3.41Å
69	L	97.8	Very high	92.6	Very high	29 Å²	29	73 Å²	73	15%	0.152	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	132.8	160	-174.9	66.2	0	0	0	106.6	G56 R57 L59 I78 Y132	G56-L69 CarbonylContact C-O 3.55Å; G56-L69 VanDerWaalsContact CA-O 3.25Å; G56-L69 WeakPolarHBondContact CA-O 3.25Å; G56-L69 PolarHBondContact N-O 2.77Å; R57-L69 HydrophobicContact CG-CB 4.29Å; R57-L69 HydrophobicContact CG-CD2 4.46Å; R57-L69 PolarHBondContact O-N 2.84Å; L59-L69 HydrophobicContact CD1-CB 4.11Å; L59-L69 HydrophobicContact CD1-CD1 4.49Å; L59-L69 HydrophobicContact CD2-CB 4.12Å; L59-L69 HydrophobicContact CG-CB 4.1Å; L69-I78 HydrophobicContact CD1-CG2 3.54Å; L69-I78 HydrophobicContact CG-CG2 4.45Å; L69-Y132 HydrophobicContact CD1-CD1 3.93Å; L69-Y132 HydrophobicContact CD1-CD2 3.83Å; L69-Y132 HydrophobicContact CD1-CE1 3.94Å; L69-Y132 HydrophobicContact CD1-CE2 3.86Å; L69-Y132 HydrophobicContact CD1-CG 3.87Å
70	A	98.2	Very high	92.8	Very high	2 Å²	2	71.2 Å²	71.2	2%	0.017	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.8	174.9	0	0	0	0	0	110.9	E54 I55 I79 L81	E54-A70 CarbonylContact O-C 3.24Å; E54-A70 WeakPolarHBondContact O-CA 3.36Å; E54-A70 WeakPolarHBondContact O-CB 3.44Å; I55-A70 HydrophobicContact CD1-CB 4Å; A70-I79 HydrophobicContact CB-CD1 3.74Å; A70-I79 HydrophobicContact CB-CG1 4.31Å; A70-I79 PolarHBondContact N-O 3.32Å; A70-I79 PolarHBondContact O-N 2.97Å; A70-L81 HydrophobicContact CB-CB 4.08Å
71	R	98	Very high	93.3	Very high	65 Å²	65	70.1 Å²	70.1	25%	0.245	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.5	174.3	-179.6	168.3	64.8	-180	-2.6	108.8	F53 E54 R73 K76 F77 I78	F53-R71 WeakPolarHBondContact CA-O 3.41Å; E54-R71 HydrophobicContact CB-CB 4.39Å; E54-R71 PolarHBondContact N-O 3.3Å; E54-R71 PolarHBondContact O-N 3.27Å; E54-R71 IonicContact OE1-NH2 3.59Å; E54-R71 PolarHBondContact OE1-NH2 3.49Å; E54-R71 IonicContact OE2-CZ 2.59Å; E54-R71 IonicContact OE2-NE 2.75Å; E54-R71 PolarHBondContact OE2-NE 2.96Å; E54-R71 IonicContact OE2-NH2 2.8Å; E54-R71 PolarHBondContact OE2-NH2 3.01Å; R71-R73 PolarHBondContact O-N 2.98Å; R71-K76 HydrophobicContact CG-CB 4.5Å; R71-K76 WeakPolarHBondContact CG-O 3.25Å; R71-F77 WeakPolarHBondContact CA-O 3.24Å; R71-I78 HydrophobicContact CB-CD1 3.85Å; R71-I78 HydrophobicContact CG-CD1 3.96Å
72	E	96.9	Very high	93.8	Very high	24 Å²	24	63.5 Å²	63.5	11%	0.112	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.6	171.3	-169.9	-76.2	135.8	0	0	108.7	F53 K74 S75 K76 F77	F53-E72 HydrophobicContact CD1-CB 4.09Å; F53-E72 HydrophobicContact CD1-CG 4.36Å; F53-E72 HydrophobicContact CE1-CB 3.92Å; F53-E72 HydrophobicContact CE1-CG 3.9Å; F53-E72 HydrophobicContact CZ-CG 4.45Å; E72-K74 PolarHBondContact O-N 3.03Å; E72-K74 WeakPolarHBondContact OE1-CB 3.5Å; E72-K74 PolarHBondContact OE1-N 3.35Å; E72-K74 PolarHBondContact OE2-N 3.2Å; E72-S75 WeakPolarHBondContact OE2-CA 3.17Å; E72-S75 WeakPolarHBondContact OE2-CB 3.38Å; E72-S75 PolarHBondContact OE2-N 2.87Å; E72-S75 PolarHBondContact OE2-OG 3.41Å; E72-K76 WeakPolarHBondContact O-CA 3.28Å; E72-K76 PolarHBondContact O-N 2.96Å; E72-F77 PolarHBondContact N-O 2.8Å
73	R	96.3	Very high	94.7	Very high	122 Å²	122	63.1 Å²	63.1	46%	0.46	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-34	-164.2	-74.7	-175.9	-173.5	-82.2	-8	113.5	K51 D52 F53 R71 K76	K51-R73 WeakPolarHBondContact O-CD 3.24Å; K51-R73 PolarHBondContact O-NE 2.93Å; D52-R73 WeakPolarHBondContact O-CB 3.38Å; D52-R73 WeakPolarHBondContact O-CG 3.37Å; D52-R73 PolarHBondContact O-N 3.35Å; F53-R73 PolarHBondContact O-NE 3.16Å; F53-R73 PolarHBondContact O-NH2 3.32Å; R71-R73 PolarHBondContact O-N 2.98Å; R73-K76 WeakPolarHBondContact O-CD 2.91Å; R73-K76 VanDerWaalsContact O-CE 3.25Å; R73-K76 WeakPolarHBondContact O-CE 3.24Å; R73-K76 PolarHBondContact O-NZ 2.99Å
74	K	93.8	Very high	95.6	Very high	195 Å²	195	55.7 Å²	55.7	85%	0.848	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-52.9	-174.2	-172.6	177	177.2	176.1	0	111.9	E72	E72-K74 PolarHBondContact O-N 3.03Å; E72-K74 WeakPolarHBondContact OE1-CB 3.5Å; E72-K74 PolarHBondContact OE1-N 3.35Å; E72-K74 PolarHBondContact OE2-N 3.2Å
75	S	94	Very high	96	Very high	78 Å²	78	54.8 Å²	54.8	55%	0.545	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-14.7	-179.2	69.3	0	0	0	0	113.7	E72 F77	E72-S75 WeakPolarHBondContact OE2-CA 3.17Å; E72-S75 WeakPolarHBondContact OE2-CB 3.38Å; E72-S75 PolarHBondContact OE2-N 2.87Å; E72-S75 PolarHBondContact OE2-OG 3.41Å; S75-F77 PolarHBondContact O-N 3.41Å; S75-F77 WeakPolarHBondContact OG-CB 3.41Å; S75-F77 PolarHBondContact OG-N 3.19Å
76	K	95.5	Very high	96.3	Very high	118 Å²	118	55.2 Å²	55.2	51%	0.513	25%	0.254	S	S	.	.			trans	61.1	14.3	-171.4	-52.7	-56.1	-175.9	-165.3	0	113.9	R71 E72 R73	R71-K76 HydrophobicContact CG-CB 4.5Å; R71-K76 WeakPolarHBondContact CG-O 3.25Å; E72-K76 WeakPolarHBondContact O-CA 3.28Å; E72-K76 PolarHBondContact O-N 2.96Å; R73-K76 WeakPolarHBondContact O-CD 2.91Å; R73-K76 VanDerWaalsContact O-CE 3.25Å; R73-K76 WeakPolarHBondContact O-CE 3.24Å; R73-K76 PolarHBondContact O-NZ 2.99Å
77	F	95.8	Very high	96.3	Very high	103 Å²	103	52.5 Å²	52.5	45%	0.452	26%	0.259	S	S	.	.			trans	-69.9	135.1	-178.5	-168.5	-117	0	0	0	111.3	R71 E72 S75 I79 Y117	R71-F77 WeakPolarHBondContact CA-O 3.24Å; E72-F77 PolarHBondContact N-O 2.8Å; S75-F77 PolarHBondContact O-N 3.41Å; S75-F77 WeakPolarHBondContact OG-CB 3.41Å; S75-F77 PolarHBondContact OG-N 3.19Å; F77-I79 HydrophobicContact CD1-CG2 3.53Å; F77-I79 HydrophobicContact CE1-CG2 3.83Å; F77-Y117 HydrophobicContact CE1-CD2 4.33Å; F77-Y117 HydrophobicContact CE1-CE1 4.27Å; F77-Y117 AromaticContact CE1-CE2 3.63Å; F77-Y117 HydrophobicContact CE1-CE2 3.63Å; F77-Y117 AromaticContact CE1-CZ 3.61Å; F77-Y117 HydrophobicContact CZ-CE2 4.41Å
78	I	97.4	Very high	96.2	Very high	69 Å²	69	55.3 Å²	55.3	35%	0.354	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.8	-178.8	-59.2	-60.2	0	0	0	109.6	L69 R71 Y132	L69-I78 HydrophobicContact CD1-CG2 3.54Å; L69-I78 HydrophobicContact CG-CG2 4.45Å; R71-I78 HydrophobicContact CB-CD1 3.85Å; R71-I78 HydrophobicContact CG-CD1 3.96Å; I78-Y132 HydrophobicContact CG2-CD1 3.99Å; I78-Y132 HydrophobicContact CG2-CG 4.4Å
79	I	97.5	Very high	95.9	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.6	-176.2	61.3	89.4	0	0	0	111.1	F53 A70 F77 L81 Y117 I129 L130	F53-I79 HydrophobicContact CD1-CD1 4.29Å; F53-I79 HydrophobicContact CD1-CG1 4.41Å; F53-I79 HydrophobicContact CE1-CD1 4.42Å; F53-I79 HydrophobicContact CE1-CG1 4.42Å; A70-I79 HydrophobicContact CB-CD1 3.74Å; A70-I79 HydrophobicContact CB-CG1 4.31Å; A70-I79 PolarHBondContact N-O 3.32Å; A70-I79 PolarHBondContact O-N 2.97Å; F77-I79 HydrophobicContact CD1-CG2 3.53Å; F77-I79 HydrophobicContact CE1-CG2 3.83Å; I79-L81 HydrophobicContact CD1-CB 3.73Å; I79-L81 HydrophobicContact CD1-CD1 4.1Å; I79-Y117 HydrophobicContact CG2-CD2 4.01Å; I79-Y117 HydrophobicContact CG2-CE2 4Å; I79-I129 HydrophobicContact CB-CG2 4.1Å; I79-I129 HydrophobicContact CD1-CG2 3.97Å; I79-I129 HydrophobicContact CG1-CG2 3.97Å; I79-I129 HydrophobicContact CG2-CG2 4.06Å; I79-L130 WeakPolarHBondContact CB-O 3.24Å
80	A	97.7	Very high	95.6	Very high	8 Å²	8	53.5 Å²	53.5	7%	0.066	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.8	163.8	0	0	0	0	0	109	L59 V67 Y68 L130	L59-A80 HydrophobicContact CD1-CB 4.07Å; V67-A80 HydrophobicContact CG1-CB 4.02Å; Y68-A80 CarbonylContact O-C 3.57Å; Y68-A80 WeakPolarHBondContact O-CA 3.41Å; A80-L130 HydrophobicContact CB-CB 4.27Å; A80-L130 PolarHBondContact N-O 3.24Å; A80-L130 WeakPolarHBondContact O-CB 3.44Å; A80-L130 PolarHBondContact O-N 3.29Å
81	L	97.2	Very high	95.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	105.6	178.6	-165.7	70.4	0	0	0	109.6	M50 I55 V67 Y68 A70 I79 M83 F120 Y127 I129	M50-L81 HydrophobicContact CE-CD2 4.4Å; M50-L81 HydrophobicContact SD-CD2 3.93Å; I55-L81 HydrophobicContact CD1-CD2 3.49Å; I55-L81 VanDerWaalsContact CD1-CD2 3.49Å; V67-L81 WeakPolarHBondContact CA-O 3.29Å; Y68-L81 PolarHBondContact N-O 3.4Å; Y68-L81 PolarHBondContact O-N 2.9Å; A70-L81 HydrophobicContact CB-CB 4.08Å; I79-L81 HydrophobicContact CD1-CB 3.73Å; I79-L81 HydrophobicContact CD1-CD1 4.1Å; L81-M83 HydrophobicContact CD2-CG 4.39Å; L81-M83 HydrophobicContact CG-CG 4.42Å; L81-F120 HydrophobicContact CD1-CE1 4.2Å; L81-Y127 HydrophobicContact CD2-CD1 4.17Å; L81-Y127 HydrophobicContact CG-CD1 4.37Å; L81-I129 HydrophobicContact CD1-CG1 4.04Å
82	K	95.6	Very high	94.8	Very high	39 Å²	39	62.2 Å²	62.2	17%	0.17	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.2	176	180	174.3	175.1	-171.3	0	108.6	V67 L84 E101 Y127 L128 L130	V67-K82 HydrophobicContact CG2-CB 4.07Å; V67-K82 HydrophobicContact CG2-CG 4.01Å; K82-L84 HydrophobicContact CD-CD2 4.48Å; K82-L84 HydrophobicContact CG-CD1 4.44Å; K82-L84 HydrophobicContact CG-CD2 4Å; K82-L84 HydrophobicContact CG-CG 4.1Å; K82-E101 IonicContact NZ-OE1 2.8Å; K82-E101 PolarHBondContact NZ-OE1 3.45Å; K82-E101 IonicContact NZ-OE2 3.2Å; K82-Y127 WeakPolarHBondContact O-CA 3.38Å; K82-L128 HydrophobicContact CB-CB 4.22Å; K82-L128 HydrophobicContact CD-CD1 4.27Å; K82-L128 PolarHBondContact N-O 2.9Å; K82-L128 PolarHBondContact O-N 2.89Å; K82-L130 HydrophobicContact CB-CD1 3.83Å; K82-L130 HydrophobicContact CD-CD1 4Å
83	M	96	Very high	94.4	Very high	34 Å²	34	63.3 Å²	63.3	17%	0.167	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.7	178.8	-61.4	177.6	63.3	0	0	109.4	M50 G65 R66 Y68 L81 Y127	M50-M83 HydrophobicContact CE-CE 4.41Å; G65-M83 CarbonylContact C-O 3.57Å; G65-M83 VanDerWaalsContact CA-O 3.27Å; G65-M83 WeakPolarHBondContact CA-O 3.39Å; R66-M83 PolarHBondContact N-O 2.99Å; R66-M83 PolarHBondContact O-N 2.98Å; Y68-M83 HydrophobicContact CD2-CG 4.17Å; Y68-M83 HydrophobicContact CD2-SD 3.56Å; Y68-M83 VanDerWaalsContact CD2-SD 3.56Å; Y68-M83 HydrophobicContact CE2-CG 4.35Å; Y68-M83 HydrophobicContact CE2-SD 3.47Å; Y68-M83 WeakPolarHBondContact CE2-SD 3.41Å; L81-M83 HydrophobicContact CD2-CG 4.39Å; L81-M83 HydrophobicContact CG-CG 4.42Å; M83-Y127 HydrophobicContact CB-CD1 4.36Å; M83-Y127 HydrophobicContact CB-CE1 4.26Å; M83-Y127 HydrophobicContact CE-CE1 3.57Å; M83-Y127 HydrophobicContact CG-CD1 3.67Å; M83-Y127 HydrophobicContact CG-CE1 3.6Å; M83-Y127 HydrophobicContact SD-CE1 4.1Å
84	L	95.5	Very high	93.9	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.4	-175.1	-59.1	168.7	0	0	0	110.8	F64 K82 K86 I89 L98 H125 V126 L128	F64-L84 HydrophobicContact CB-CD2 4.03Å; K82-L84 HydrophobicContact CD-CD2 4.48Å; K82-L84 HydrophobicContact CG-CD1 4.44Å; K82-L84 HydrophobicContact CG-CD2 4Å; K82-L84 HydrophobicContact CG-CG 4.1Å; L84-K86 PolarHBondContact O-N 2.77Å; L84-I89 HydrophobicContact CB-CD1 3.87Å; L84-L98 HydrophobicContact CD1-CD1 3.59Å; L84-H125 CarbonylContact O-C 3.57Å; L84-H125 WeakPolarHBondContact O-CA 3.46Å; L84-H125 WeakPolarHBondContact O-CB 3.45Å; L84-V126 HydrophobicContact CB-CB 4.47Å; L84-V126 PolarHBondContact N-O 2.97Å; L84-V126 PolarHBondContact O-N 3.42Å; L84-L128 HydrophobicContact CD1-CD1 4.21Å; L84-L128 HydrophobicContact CD1-CG 4.34Å
85	S	96.1	Very high	93.7	Very high	25 Å²	25	51.5 Å²	51.5	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118.8	179.7	175.4	0	0	0	0	111.3	F64 A87 Q88 I89	F64-S85 PolarHBondContact O-N 3.01Å; S85-A87 VanDerWaalsContact C-N 3.28Å; S85-A87 PolarHBondContact O-N 2.97Å; S85-Q88 PolarHBondContact O-N 2.8Å; S85-Q88 PolarHBondContact OG-N 3.03Å; S85-I89 WeakPolarHBondContact O-CD1 3.47Å; S85-I89 VanDerWaalsContact O-CG1 3.28Å; S85-I89 WeakPolarHBondContact O-CG1 3.16Å; S85-I89 PolarHBondContact O-N 3.14Å
86	K	95.7	Very high	93.2	Very high	28 Å²	28	55.6 Å²	55.6	12%	0.122	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-41.3	176.1	-68.8	-177.2	176.6	178.5	0	111.9	L31 L84 Q88 I89 V90 H121 D122 Q124 H125 V126	L31-K86 HydrophobicContact CD2-CB 4.39Å; L31-K86 HydrophobicContact CD2-CD 4.33Å; L31-K86 HydrophobicContact CD2-CG 3.91Å; L84-K86 PolarHBondContact O-N 2.77Å; K86-Q88 VanDerWaalsContact C-N 3.35Å; K86-Q88 PolarHBondContact O-N 3.35Å; K86-I89 PolarHBondContact O-N 2.89Å; K86-V90 WeakPolarHBondContact O-CG2 3.17Å; K86-V90 PolarHBondContact O-N 2.82Å; K86-H121 PolarHBondContact NZ-ND1 3.42Å; K86-D122 VanDerWaalsContact CE-O 3.25Å; K86-D122 WeakPolarHBondContact CE-O 3.32Å; K86-D122 PolarHBondContact NZ-O 2.89Å; K86-Q124 WeakPolarHBondContact CB-O 3.44Å; K86-Q124 WeakPolarHBondContact CG-O 3.42Å; K86-Q124 PolarHBondContact N-O 2.94Å; K86-H125 WeakPolarHBondContact CE-O 3.23Å; K86-V126 HydrophobicContact CG-CG2 3.98Å
87	A	94.8	Very high	92.7	Very high	74 Å²	74	52.4 Å²	52.4	61%	0.612	28%	0.278	S	S	*	.	H	α-helix	trans	-60.2	-43.3	178.8	0	0	0	0	0	112	S85 K91	S85-A87 VanDerWaalsContact C-N 3.28Å; S85-A87 PolarHBondContact O-N 2.97Å; A87-K91 VanDerWaalsContact O-CB 3.24Å; A87-K91 WeakPolarHBondContact O-CB 3.34Å; A87-K91 PolarHBondContact O-N 3.35Å
88	Q	92.8	Very high	92.3	Very high	91 Å²	91	47.9 Å²	47.9	43%	0.425	26%	0.259	S	S	.	.	H	α-helix	trans	-69.7	-37.4	178.4	-67.6	-175.8	-21.6	0	0	112.7	F64 S85 K86 S92	F64-Q88 VanDerWaalsContact C-OE1 3.27Å; F64-Q88 HydrophobicContact CD1-CB 4.38Å; F64-Q88 PolarHBondContact O-OE1 3.06Å; S85-Q88 PolarHBondContact O-N 2.8Å; S85-Q88 PolarHBondContact OG-N 3.03Å; K86-Q88 VanDerWaalsContact C-N 3.35Å; K86-Q88 PolarHBondContact O-N 3.35Å; Q88-S92 VanDerWaalsContact O-CB 3.31Å; Q88-S92 WeakPolarHBondContact O-CB 3.27Å; Q88-S92 PolarHBondContact O-N 2.87Å; Q88-S92 PolarHBondContact O-OG 3.31Å
89	I	90.7	Very high	91.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-52.1	176.2	-68.9	162.8	0	0	0	109.9	F64 L84 S85 K86 K91 S92 G93 V94 E95 L98	F64-I89 HydrophobicContact CB-CG1 4.18Å; F64-I89 HydrophobicContact CD1-CG1 4.46Å; F64-I89 HydrophobicContact CG-CG1 4.24Å; L84-I89 HydrophobicContact CB-CD1 3.87Å; S85-I89 WeakPolarHBondContact O-CD1 3.47Å; S85-I89 VanDerWaalsContact O-CG1 3.28Å; S85-I89 WeakPolarHBondContact O-CG1 3.16Å; S85-I89 PolarHBondContact O-N 3.14Å; K86-I89 PolarHBondContact O-N 2.89Å; I89-K91 PolarHBondContact O-N 2.83Å; I89-S92 CarbonylContact O-C 3.53Å; I89-S92 PolarHBondContact O-N 3.48Å; I89-S92 VanDerWaalsContact O-N 3.13Å; I89-G93 PolarHBondContact O-N 3.33Å; I89-V94 HydrophobicContact CB-CG2 4.31Å; I89-V94 HydrophobicContact CG1-CG2 4.46Å; I89-V94 HydrophobicContact CG2-CG2 3.94Å; I89-V94 PolarHBondContact O-N 3.03Å; I89-E95 HydrophobicContact CG2-CB 4.41Å; I89-E95 HydrophobicContact CG2-CG 3.98Å; I89-L98 HydrophobicContact CD1-CD2 3.55Å
90	V	91.9	Very high	91.2	Very high	36 Å²	36	50 Å²	50	22%	0.218	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-46.1	179.3	172.4	0	0	0	0	111.1	K29 L31 K86 S92 G93 E95	K29-V90 HydrophobicContact CB-CG1 4.14Å; K29-V90 WeakPolarHBondContact O-CG1 3.15Å; L31-V90 HydrophobicContact CB-CG2 3.97Å; K86-V90 WeakPolarHBondContact O-CG2 3.17Å; K86-V90 PolarHBondContact O-N 2.82Å; V90-S92 PolarHBondContact O-N 2.76Å; V90-G93 PolarHBondContact O-N 3.34Å; V90-G93 VanDerWaalsContact O-N 3.16Å; V90-E95 WeakPolarHBondContact CA-OE1 3.29Å; V90-E95 HydrophobicContact CG2-CG 4.24Å
91	K	91.7	Very high	90.7	Very high	193 Å²	193	50.3 Å²	50.3	84%	0.839	27%	0.265	S	S	*	.	H	α-helix	trans	-58.8	-31.7	176.9	-177.1	175.6	179.4	176	0	112.6	A87 I89	A87-K91 VanDerWaalsContact O-CB 3.24Å; A87-K91 WeakPolarHBondContact O-CB 3.34Å; A87-K91 PolarHBondContact O-N 3.35Å; I89-K91 PolarHBondContact O-N 2.83Å
92	S	87.7	Confident	90.4	Very high	57 Å²	57	50.9 Å²	50.9	40%	0.399	27%	0.268	S	S	.	.	H	α-helix	trans	-92.3	-6	-178.5	-52.7	0	0	0	0	113.9	Q88 I89 V90 V94	Q88-S92 VanDerWaalsContact O-CB 3.31Å; Q88-S92 WeakPolarHBondContact O-CB 3.27Å; Q88-S92 PolarHBondContact O-N 2.87Å; Q88-S92 PolarHBondContact O-OG 3.31Å; I89-S92 CarbonylContact O-C 3.53Å; I89-S92 PolarHBondContact O-N 3.48Å; I89-S92 VanDerWaalsContact O-N 3.13Å; V90-S92 PolarHBondContact O-N 2.76Å; S92-V94 VanDerWaalsContact C-N 3.34Å; S92-V94 PolarHBondContact O-N 2.85Å
93	G	88.4	Confident	90.1	Very high	47 Å²	47	52.6 Å²	52.6	49%	0.485	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	30.2	-179.9	0	0	0	0	0	114.4	I89 V90 E95	I89-G93 PolarHBondContact O-N 3.33Å; V90-G93 PolarHBondContact O-N 3.34Å; V90-G93 VanDerWaalsContact O-N 3.16Å; G93-E95 WeakPolarHBondContact CA-OE2 3.49Å
94	V	86.1	Confident	89.6	Confident	20 Å²	20	51 Å²	51	12%	0.121	27%	0.272	C	S	.	.			trans	-109.2	18	-175.4	-61.2	0	0	0	0	113.9	F64 I89 S92 K96 Q97 L98	F64-V94 HydrophobicContact CD1-CG2 4.41Å; F64-V94 HydrophobicContact CE1-CG2 3.76Å; F64-V94 HydrophobicContact CE2-CG2 3.94Å; F64-V94 HydrophobicContact CZ-CB 4.29Å; F64-V94 HydrophobicContact CZ-CG1 4.09Å; F64-V94 HydrophobicContact CZ-CG2 3.49Å; F64-V94 VanDerWaalsContact CZ-CG2 3.49Å; I89-V94 HydrophobicContact CB-CG2 4.31Å; I89-V94 HydrophobicContact CG1-CG2 4.46Å; I89-V94 HydrophobicContact CG2-CG2 3.94Å; I89-V94 PolarHBondContact O-N 3.03Å; S92-V94 VanDerWaalsContact C-N 3.34Å; S92-V94 PolarHBondContact O-N 2.85Å; V94-K96 VanDerWaalsContact C-N 3.27Å; V94-K96 PolarHBondContact O-N 3.48Å; V94-Q97 HydrophobicContact CB-CB 4.41Å; V94-Q97 PolarHBondContact O-N 3.16Å; V94-Q97 VanDerWaalsContact O-N 3.16Å; V94-L98 PolarHBondContact O-N 2.73Å; V94-L98 VanDerWaalsContact O-N 3.12Å
95	E	89.1	Confident	89.4	Confident	49 Å²	49	50.7 Å²	50.7	23%	0.229	27%	0.27	C	S	.	.	H	α-helix	trans	-55	-44	-180	-60.9	92.9	139	0	0	111.7	L31 I89 V90 G93 Q97 L98 I99	L31-E95 HydrophobicContact CD1-CB 3.57Å; L31-E95 HydrophobicContact CD1-CG 3.22Å; I89-E95 HydrophobicContact CG2-CB 4.41Å; I89-E95 HydrophobicContact CG2-CG 3.98Å; V90-E95 WeakPolarHBondContact CA-OE1 3.29Å; V90-E95 HydrophobicContact CG2-CG 4.24Å; G93-E95 WeakPolarHBondContact CA-OE2 3.49Å; E95-Q97 VanDerWaalsContact C-N 3.32Å; E95-Q97 PolarHBondContact O-N 3.28Å; E95-L98 PolarHBondContact O-N 3Å; E95-I99 WeakPolarHBondContact O-CG1 3.3Å; E95-I99 PolarHBondContact O-N 3.42Å
96	K	84.8	Confident	89.2	Confident	163 Å²	163	51.9 Å²	51.9	71%	0.709	28%	0.276	S	S	*	.	H	α-helix	trans	-65.8	-35.4	-179.2	-66.4	-175.6	179.3	-178.7	0	112.2	V94 R100	V94-K96 VanDerWaalsContact C-N 3.27Å; V94-K96 PolarHBondContact O-N 3.48Å; K96-R100 VanDerWaalsContact O-CB 3.24Å; K96-R100 WeakPolarHBondContact O-CB 3.33Å; K96-R100 PolarHBondContact O-N 3.35Å
97	Q	83.4	Confident	89	Confident	51 Å²	51	55.8 Å²	55.8	24%	0.238	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-42.3	177.2	-68.9	87.1	-45.9	0	0	110.5	V94 E95 R100 E101 G196	V94-Q97 HydrophobicContact CB-CB 4.41Å; V94-Q97 PolarHBondContact O-N 3.16Å; V94-Q97 VanDerWaalsContact O-N 3.16Å; E95-Q97 VanDerWaalsContact C-N 3.32Å; E95-Q97 PolarHBondContact O-N 3.28Å; Q97-R100 PolarHBondContact O-N 2.92Å; Q97-E101 WeakPolarHBondContact O-CB 3.31Å; Q97-E101 PolarHBondContact O-N 3.07Å; Q97-G196 WeakPolarHBondContact CB-O 3.36Å; Q97-G196 WeakPolarHBondContact CG-O 3.4Å
98	L	88.3	Confident	88.9	Confident	9 Å²	9	52.4 Å²	52.4	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-63.2	-49	174.5	173.2	62.4	0	0	0	111.8	L84 I89 V94 E95 R100 E101 I102 V126 L128	L84-L98 HydrophobicContact CD1-CD1 3.59Å; I89-L98 HydrophobicContact CD1-CD2 3.55Å; V94-L98 PolarHBondContact O-N 2.73Å; V94-L98 VanDerWaalsContact O-N 3.12Å; E95-L98 PolarHBondContact O-N 3Å; L98-R100 PolarHBondContact O-N 3.47Å; L98-E101 PolarHBondContact O-N 3.07Å; L98-I102 HydrophobicContact CD1-CD1 3.91Å; L98-I102 HydrophobicContact CD1-CG1 4.16Å; L98-I102 HydrophobicContact CG-CD1 4.02Å; L98-I102 WeakPolarHBondContact O-CG1 3.41Å; L98-I102 PolarHBondContact O-N 2.95Å; L98-V126 HydrophobicContact CD2-CB 4.25Å; L98-V126 HydrophobicContact CD2-CG1 4.25Å; L98-V126 HydrophobicContact CD2-CG2 4.06Å; L98-L128 HydrophobicContact CD1-CD1 4.49Å
99	I	88.4	Confident	89	Confident	47 Å²	47	53.1 Å²	53.1	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-42.1	178.9	-69.4	165.6	0	0	0	110	L33 E95 I102 D103	L33-I99 HydrophobicContact CD2-CD1 4.1Å; L33-I99 HydrophobicContact CD2-CG1 3.61Å; E95-I99 WeakPolarHBondContact O-CG1 3.3Å; E95-I99 PolarHBondContact O-N 3.42Å; I99-I102 PolarHBondContact O-N 3.48Å; I99-D103 WeakPolarHBondContact O-CB 3.08Å; I99-D103 PolarHBondContact O-N 2.93Å
100	R	82.9	Confident	89.3	Confident	69 Å²	69	54.1 Å²	54.1	26%	0.26	28%	0.278	S	S	.	.	H	α-helix	trans	-67.1	-41.4	177.4	-173.7	177.7	-63	177.2	-8.7	113.4	K96 Q97 L98 I102 D103 I104 S198 V199 S204	K96-R100 VanDerWaalsContact O-CB 3.24Å; K96-R100 WeakPolarHBondContact O-CB 3.33Å; K96-R100 PolarHBondContact O-N 3.35Å; Q97-R100 PolarHBondContact O-N 2.92Å; L98-R100 PolarHBondContact O-N 3.47Å; R100-I102 VanDerWaalsContact C-N 3.3Å; R100-I102 PolarHBondContact O-N 2.85Å; R100-D103 PolarHBondContact O-N 3.46Å; R100-I104 HydrophobicContact CG-CD1 3.65Å; R100-I104 HydrophobicContact CG-CG1 4.22Å; R100-I104 WeakPolarHBondContact O-CB 3.16Å; R100-I104 WeakPolarHBondContact O-CG1 3.38Å; R100-I104 PolarHBondContact O-N 2.98Å; R100-S198 WeakPolarHBondContact CD-O 3.16Å; R100-S198 PolarHBondContact NH1-O 3.23Å; R100-V199 VanDerWaalsContact NH1-CG1 3.3Å; R100-S204 PolarHBondContact NH2-OG 3.46Å
101	E	88.1	Confident	89.5	Confident	13 Å²	13	56.5 Å²	56.5	6%	0.061	29%	0.294	C	S	.	.	H	α-helix	trans	-56.6	-48.4	174.3	-177	-177.2	171.4	0	0	109.6	K82 Q97 L98 Q105 F195	K82-E101 IonicContact NZ-OE1 2.8Å; K82-E101 PolarHBondContact NZ-OE1 3.45Å; K82-E101 IonicContact NZ-OE2 3.2Å; Q97-E101 WeakPolarHBondContact O-CB 3.31Å; Q97-E101 PolarHBondContact O-N 3.07Å; L98-E101 PolarHBondContact O-N 3.07Å; E101-Q105 WeakPolarHBondContact O-CB 3.4Å; E101-Q105 PolarHBondContact O-N 2.68Å; E101-F195 HydrophobicContact CG-CB 4.35Å
102	I	90.5	Very high	89.8	Confident	12 Å²	12	47.8 Å²	47.8	6%	0.062	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-53.1	177.8	-67.9	170.7	0	0	0	110.9	L98 I99 R100 I104 Q105 T106 W119 V126 L128	L98-I102 HydrophobicContact CD1-CD1 3.91Å; L98-I102 HydrophobicContact CD1-CG1 4.16Å; L98-I102 HydrophobicContact CG-CD1 4.02Å; L98-I102 WeakPolarHBondContact O-CG1 3.41Å; L98-I102 PolarHBondContact O-N 2.95Å; I99-I102 PolarHBondContact O-N 3.48Å; R100-I102 VanDerWaalsContact C-N 3.3Å; R100-I102 PolarHBondContact O-N 2.85Å; I102-I104 PolarHBondContact O-N 3.14Å; I102-Q105 PolarHBondContact O-N 2.75Å; I102-T106 VanDerWaalsContact O-CB 3.31Å; I102-T106 WeakPolarHBondContact O-CB 3.33Å; I102-T106 PolarHBondContact O-N 2.9Å; I102-T106 PolarHBondContact O-OG1 3.07Å; I102-W119 HydrophobicContact CD1-CD2 4.26Å; I102-W119 HydrophobicContact CD1-CE3 4.43Å; I102-W119 HydrophobicContact CD1-CG 4.45Å; I102-W119 VanDerWaalsContact CG2-CD1 3.49Å; I102-W119 HydrophobicContact CG2-CD2 4.24Å; I102-W119 HydrophobicContact CG2-CG 4.03Å; I102-V126 HydrophobicContact CD1-CG1 4.25Å; I102-L128 HydrophobicContact CD1-CD2 3.85Å; I102-L128 HydrophobicContact CG1-CD2 3.71Å
103	D	88.6	Confident	90.3	Very high	75 Å²	75	45.2 Å²	45.2	40%	0.401	24%	0.238	S	C	.	.	H	α-helix	trans	-58.5	-51	-177	-179.1	41.3	0	0	0	112	I99 R100 H107	I99-D103 WeakPolarHBondContact O-CB 3.08Å; I99-D103 PolarHBondContact O-N 2.93Å; R100-D103 PolarHBondContact O-N 3.46Å; D103-H107 PolarHBondContact O-ND1 3.32Å; D103-H107 IonicContact OD1-CE1 3.33Å; D103-H107 PolarHBondContact OD1-CE1 2.75Å; D103-H107 IonicContact OD1-ND1 3.34Å; D103-H107 PolarHBondContact OD1-ND1 3.44Å
104	I	86.4	Confident	90.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-49.8	178.5	-68.3	174.1	0	0	0	110.3	R100 I102 T106 H107 V108 V172 F195	R100-I104 HydrophobicContact CG-CD1 3.65Å; R100-I104 HydrophobicContact CG-CG1 4.22Å; R100-I104 WeakPolarHBondContact O-CB 3.16Å; R100-I104 WeakPolarHBondContact O-CG1 3.38Å; R100-I104 PolarHBondContact O-N 2.98Å; I102-I104 PolarHBondContact O-N 3.14Å; I104-T106 VanDerWaalsContact C-N 3.31Å; I104-T106 PolarHBondContact O-N 3.4Å; I104-H107 PolarHBondContact O-N 3.31Å; I104-H107 VanDerWaalsContact O-N 3.11Å; I104-V108 HydrophobicContact CG2-CG1 4.28Å; I104-V108 WeakPolarHBondContact O-CG1 3.4Å; I104-V108 WeakPolarHBondContact O-CG2 3.1Å; I104-V108 PolarHBondContact O-N 2.97Å; I104-V172 HydrophobicContact CD1-CG1 4.37Å; I104-V172 HydrophobicContact CG2-CG1 3.83Å; I104-V172 HydrophobicContact CG2-CG2 3.99Å; I104-F195 HydrophobicContact CG2-CB 4.33Å; I104-F195 HydrophobicContact CG2-CD1 3.64Å; I104-F195 HydrophobicContact CG2-CE1 4.22Å; I104-F195 HydrophobicContact CG2-CG 4.08Å
105	Q	91.3	Very high	91.2	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-70.6	-27.6	-170.5	-155.2	176	15.5	0	0	112.7	E101 I102 H107 V108 L114 L116 F195	E101-Q105 WeakPolarHBondContact O-CB 3.4Å; E101-Q105 PolarHBondContact O-N 2.68Å; I102-Q105 PolarHBondContact O-N 2.75Å; Q105-H107 VanDerWaalsContact C-N 3.34Å; Q105-V108 HydrophobicContact CG-CG2 4.41Å; Q105-L114 PolarHBondContact NE2-O 2.8Å; Q105-L116 HydrophobicContact CB-CB 3.95Å; Q105-L116 HydrophobicContact CB-CD2 4.03Å; Q105-L116 HydrophobicContact CG-CB 3.63Å; Q105-F195 HydrophobicContact CB-CD2 4.42Å; Q105-F195 HydrophobicContact CG-CD2 4.17Å; Q105-F195 HydrophobicContact CG-CE2 4.35Å
106	T	92	Very high	91.6	Very high	50 Å²	50	43.7 Å²	43.7	31%	0.307	21%	0.214	S	C	.	.	H	α-helix	trans	-65	-36.1	171.6	-68.5	0	0	0	0	112	I102 I104 R115 L116	I102-T106 VanDerWaalsContact O-CB 3.31Å; I102-T106 WeakPolarHBondContact O-CB 3.33Å; I102-T106 PolarHBondContact O-N 2.9Å; I102-T106 PolarHBondContact O-OG1 3.07Å; I104-T106 VanDerWaalsContact C-N 3.31Å; I104-T106 PolarHBondContact O-N 3.4Å; T106-R115 PolarHBondContact O-NH1 2.82Å; T106-L116 WeakPolarHBondContact OG1-CD2 3.46Å
107	H	91	Very high	92.1	Very high	110 Å²	110	40.1 Å²	40.1	51%	0.509	20%	0.197	S	C	.	.	H	α-helix	trans	-94.6	-1.1	-173.5	-64.9	106	0	0	0	115.1	D103 I104 Q105 K170	D103-H107 PolarHBondContact O-ND1 3.32Å; D103-H107 IonicContact OD1-CE1 3.33Å; D103-H107 PolarHBondContact OD1-CE1 2.75Å; D103-H107 IonicContact OD1-ND1 3.34Å; D103-H107 PolarHBondContact OD1-ND1 3.44Å; I104-H107 PolarHBondContact O-N 3.31Å; I104-H107 VanDerWaalsContact O-N 3.11Å; Q105-H107 VanDerWaalsContact C-N 3.34Å; H107-K170 PolarHBondContact O-NZ 3.28Å
108	V	92.6	Very high	92.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	19%	0.191	C	C	.	.			trans	-104.9	137.4	175.8	-63.6	0	0	0	0	111.3	I104 Q105 V113 R115 Y166 L167 K170	I104-V108 HydrophobicContact CG2-CG1 4.28Å; I104-V108 WeakPolarHBondContact O-CG1 3.4Å; I104-V108 WeakPolarHBondContact O-CG2 3.1Å; I104-V108 PolarHBondContact O-N 2.97Å; Q105-V108 HydrophobicContact CG-CG2 4.41Å; V108-V113 HydrophobicContact CG2-CG1 3.82Å; V108-R115 PolarHBondContact O-NH1 2.92Å; V108-Y166 HydrophobicContact CB-CE1 3.92Å; V108-Y166 HydrophobicContact CG1-CE1 4.12Å; V108-L167 HydrophobicContact CB-CD2 4.37Å; V108-L167 HydrophobicContact CG1-CD2 3.76Å; V108-K170 HydrophobicContact CG1-CD 4.3Å
109	N	95.1	Very high	93	Very high	107 Å²	107	41.2 Å²	41.2	57%	0.572	20%	0.202	S	C	*	.			trans	-145.9	103.7	177.9	-174.3	20	0	0	0	108.7	Y166	N109-Y166 PolarHBondContact N-OH 3.22Å; N109-Y166 PolarHBondContact O-OH 2.9Å
110	H	97.4	Very high	93.4	Very high	22 Å²	22	39.8 Å²	39.8	10%	0.102	19%	0.194	C	C	.	.			trans	-149.9	141.6	-177.9	-174.2	-91.3	0	0	0	108.9	N112 V113 D162 Y166	H110-N112 PolarHBondContact ND1-N 3.36Å; H110-N112 PolarHBondContact O-N 2.86Å; H110-N112 VanDerWaalsContact O-N 3.08Å; H110-V113 HydrophobicContact CB-CB 4.06Å; H110-V113 HydrophobicContact CB-CG2 3.87Å; H110-V113 PolarHBondContact O-N 2.92Å; H110-V113 VanDerWaalsContact O-O 3.11Å; H110-D162 IonicContact CE1-OD2 3.76Å; H110-D162 PolarHBondContact CE1-OD2 3.3Å; H110-D162 IonicContact NE2-OD2 2.76Å; H110-D162 PolarHBondContact NE2-OD2 2.79Å; H110-Y166 HydrophobicContact CB-CD1 3.79Å; H110-Y166 HydrophobicContact CB-CE1 3.97Å; H110-Y166 HydrophobicContact CB-CG 4.12Å; H110-Y166 AromaticContact CD2-CG 3.75Å
111	P	96.9	Very high	94	Very high	85 Å²	85	39.8 Å²	39.8	55%	0.552	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.8	-178.7	21.5	-34.9	0	0	0	113.6	K191	P111-K191 VanDerWaalsContact O-CD 3.26Å; P111-K191 WeakPolarHBondContact O-CD 3.3Å; P111-K191 WeakPolarHBondContact O-CE 3.44Å; P111-K191 PolarHBondContact O-NZ 2.92Å
112	N	98	Very high	94.3	Very high	10 Å²	10	42 Å²	42	5%	0.053	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	18.5	178.8	-59.1	109.8	0	0	0	115.1	H110 Q159 A163 L190 I192	H110-N112 PolarHBondContact ND1-N 3.36Å; H110-N112 PolarHBondContact O-N 2.86Å; H110-N112 VanDerWaalsContact O-N 3.08Å; N112-Q159 HydrophobicContact CB-CB 4.41Å; N112-Q159 VanDerWaalsContact ND2-CD 3.34Å; N112-Q159 PolarHBondContact ND2-OE1 3.31Å; N112-A163 HydrophobicContact CB-CB 3.93Å; N112-L190 WeakPolarHBondContact CA-O 3.49Å; N112-L190 WeakPolarHBondContact CB-O 3.12Å; N112-L190 PolarHBondContact ND2-O 3.17Å; N112-I192 PolarHBondContact O-N 3.33Å
113	V	97.6	Very high	94.5	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-120.2	131.5	170	175.3	0	0	0	0	108.1	V108 H110 R115 A163 L167 F195	V108-V113 HydrophobicContact CG2-CG1 3.82Å; H110-V113 HydrophobicContact CB-CB 4.06Å; H110-V113 HydrophobicContact CB-CG2 3.87Å; H110-V113 PolarHBondContact O-N 2.92Å; H110-V113 VanDerWaalsContact O-O 3.11Å; V113-R115 PolarHBondContact O-N 3.42Å; V113-A163 HydrophobicContact CG2-CB 4.08Å; V113-L167 HydrophobicContact CG2-CD1 4.28Å; V113-L167 HydrophobicContact CG2-CD2 4.35Å; V113-L167 HydrophobicContact CG2-CG 4.33Å; V113-F195 HydrophobicContact CG1-CE2 3.79Å; V113-F195 HydrophobicContact CG1-CZ 3.56Å
114	L	97.2	Very high	94.9	Very high	7 Å²	7	53 Å²	53	4%	0.037	26%	0.258	C	S	.	.			trans	-62.2	121.3	-179.3	-167.2	76.4	0	0	0	109.8	Q105 L130 E131 A133 L183 K191 I192 A193	Q105-L114 PolarHBondContact NE2-O 2.8Å; L114-L130 HydrophobicContact CD2-CB 4.35Å; L114-L130 HydrophobicContact CD2-CD1 4.39Å; L114-L130 HydrophobicContact CD2-CD2 4.38Å; L114-E131 HydrophobicContact CD1-CB 3.88Å; L114-E131 HydrophobicContact CD1-CG 4.19Å; L114-E131 HydrophobicContact CG-CB 4.29Å; L114-A133 HydrophobicContact CD1-CB 4.27Å; L114-L183 HydrophobicContact CD1-CD1 4Å; L114-L183 HydrophobicContact CD2-CD1 3.85Å; L114-K191 HydrophobicContact CB-CB 4.19Å; L114-K191 HydrophobicContact CD1-CB 3.95Å; L114-K191 HydrophobicContact CD1-CG 4.28Å; L114-I192 WeakPolarHBondContact CB-O 3.34Å; L114-I192 PolarHBondContact N-O 2.9Å; L114-A193 HydrophobicContact CB-CB 4.13Å; L114-A193 HydrophobicContact CD2-CB 3.88Å
115	R	96.4	Very high	95.4	Very high	74 Å²	74	55 Å²	55	28%	0.279	27%	0.267	S	S	.	.			trans	-74.5	131.7	-176.8	-171.2	65.4	170.2	144.6	7.7	111.4	T106 V108 V113 Y117 L130 E131	T106-R115 PolarHBondContact O-NH1 2.82Å; V108-R115 PolarHBondContact O-NH1 2.92Å; V113-R115 PolarHBondContact O-N 3.42Å; R115-Y117 HydrophobicContact CB-CE1 4.12Å; R115-Y117 HydrophobicContact CG-CD1 3.75Å; R115-Y117 HydrophobicContact CG-CE1 3.62Å; R115-L130 CarbonylContact O-C 3.53Å; R115-L130 WeakPolarHBondContact O-CA 3.46Å; R115-E131 HydrophobicContact CB-CB 4.07Å; R115-E131 PolarHBondContact N-OE2 3.37Å; R115-E131 PolarHBondContact O-N 3.36Å
116	L	96.2	Very high	95.6	Very high	3 Å²	3	55 Å²	55	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	110.5	159.9	178.4	63.2	0	0	0	108.2	Q105 T106 G118 L128 L130	Q105-L116 HydrophobicContact CB-CB 3.95Å; Q105-L116 HydrophobicContact CB-CD2 4.03Å; Q105-L116 HydrophobicContact CG-CB 3.63Å; T106-L116 WeakPolarHBondContact OG1-CD2 3.46Å; L116-G118 VanDerWaalsContact C-N 3.33Å; L116-G118 WeakPolarHBondContact CD1-O 3.29Å; L116-L128 HydrophobicContact CD1-CB 3.83Å; L116-L130 HydrophobicContact CB-CD2 4.13Å; L116-L130 HydrophobicContact CD1-CD2 3.69Å; L116-L130 HydrophobicContact CD1-CG 4.44Å
117	Y	95	Very high	95.8	Very high	88 Å²	88	52.9 Å²	52.9	35%	0.345	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-29	177.5	-60.4	-60.1	0	0	0	112.1	F77 I79 R115 I129 E131	F77-Y117 HydrophobicContact CE1-CD2 4.33Å; F77-Y117 HydrophobicContact CE1-CE1 4.27Å; F77-Y117 AromaticContact CE1-CE2 3.63Å; F77-Y117 HydrophobicContact CE1-CE2 3.63Å; F77-Y117 AromaticContact CE1-CZ 3.61Å; F77-Y117 HydrophobicContact CZ-CE2 4.41Å; I79-Y117 HydrophobicContact CG2-CD2 4.01Å; I79-Y117 HydrophobicContact CG2-CE2 4Å; R115-Y117 HydrophobicContact CB-CE1 4.12Å; R115-Y117 HydrophobicContact CG-CD1 3.75Å; R115-Y117 HydrophobicContact CG-CE1 3.62Å; Y117-I129 WeakPolarHBondContact CB-O 3.38Å; Y117-I129 HydrophobicContact CD2-CG2 4.21Å; Y117-I129 PolarHBondContact N-O 2.84Å; Y117-E131 HydrophobicContact CE2-CB 4.15Å
118	G	95	Very high	96.1	Very high	11 Å²	11	47.7 Å²	47.7	11%	0.113	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-178.2	177.5	0	0	0	0	0	111.3	L116 I129	L116-G118 VanDerWaalsContact C-N 3.33Å; L116-G118 WeakPolarHBondContact CD1-O 3.29Å; G118-I129 WeakPolarHBondContact O-CB 3.34Å; G118-I129 PolarHBondContact O-N 3.2Å
119	W	96	Very high	96.3	Very high	73 Å²	73	47.8 Å²	47.8	28%	0.277	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	160.2	178.9	65.6	-81.8	0	0	0	110.1	L33 I102 V126 Y127 L128	L33-W119 HydrophobicContact CB-CH2 4.1Å; L33-W119 HydrophobicContact CB-CZ3 4.35Å; L33-W119 HydrophobicContact CD1-CH2 4.32Å; L33-W119 HydrophobicContact CD1-CZ3 3.78Å; I102-W119 HydrophobicContact CD1-CD2 4.26Å; I102-W119 HydrophobicContact CD1-CE3 4.43Å; I102-W119 HydrophobicContact CD1-CG 4.45Å; I102-W119 VanDerWaalsContact CG2-CD1 3.49Å; I102-W119 HydrophobicContact CG2-CD2 4.24Å; I102-W119 HydrophobicContact CG2-CG 4.03Å; W119-V126 HydrophobicContact CE3-CG1 4.4Å; W119-Y127 CarbonylContact C-O 3.44Å; W119-Y127 WeakPolarHBondContact CA-O 3.39Å; W119-Y127 VanDerWaalsContact CB-O 3.25Å; W119-Y127 WeakPolarHBondContact CB-O 3.47Å; W119-L128 HydrophobicContact CB-CD2 3.64Å
120	F	96.3	Very high	96.4	Very high	16 Å²	16	43.2 Å²	43.2	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	174.1	170.5	64	-83.6	0	0	0	108.9	W48 M50 F53 L81 Y127 I129	W48-F120 HydrophobicContact CB-CB 4.22Å; W48-F120 HydrophobicContact CB-CD1 3.67Å; W48-F120 HydrophobicContact CB-CE1 4.26Å; W48-F120 HydrophobicContact CB-CG 4.05Å; W48-F120 VanDerWaalsContact O-CB 3.24Å; W48-F120 WeakPolarHBondContact O-CB 3.32Å; W48-F120 WeakPolarHBondContact O-CD2 3.37Å; W48-F120 VanDerWaalsContact O-CG 3.29Å; W48-F120 WeakPolarHBondContact O-CG 3.43Å; M50-F120 HydrophobicContact CG-CE2 4.05Å; M50-F120 HydrophobicContact CG-CZ 4.31Å; M50-F120 HydrophobicContact SD-CE2 4.25Å; M50-F120 HydrophobicContact SD-CZ 3.96Å; F53-F120 HydrophobicContact CD2-CE1 4.06Å; F53-F120 HydrophobicContact CD2-CZ 4.06Å; F53-F120 HydrophobicContact CE2-CD1 4.3Å; F53-F120 AromaticContact CE2-CE1 3.44Å; F53-F120 HydrophobicContact CE2-CE1 3.44Å; F53-F120 VanDerWaalsContact CE2-CE1 3.44Å; F53-F120 AromaticContact CE2-CZ 3.86Å; F53-F120 HydrophobicContact CE2-CZ 3.86Å; F53-F120 HydrophobicContact CZ-CE1 4.12Å; L81-F120 HydrophobicContact CD1-CE1 4.2Å; F120-Y127 AromaticContact CD2-CD2 3.57Å; F120-Y127 HydrophobicContact CD2-CD2 3.57Å; F120-Y127 HydrophobicContact CD2-CE2 4.32Å; F120-Y127 AromaticContact CD2-CG 3.96Å; F120-Y127 HydrophobicContact CD2-CG 3.96Å; F120-Y127 VanDerWaalsContact CE1-CB 3.45Å; F120-Y127 HydrophobicContact CE1-CG 4.02Å; F120-Y127 HydrophobicContact CE2-CD1 4.05Å; F120-Y127 AromaticContact CE2-CD2 3.25Å; F120-Y127 HydrophobicContact CE2-CD2 3.25Å; F120-Y127 AromaticContact CE2-CE2 3.83Å; F120-Y127 HydrophobicContact CE2-CE2 3.83Å; F120-Y127 AromaticContact CE2-CG 3.39Å; F120-Y127 HydrophobicContact CE2-CG 3.39Å; F120-Y127 HydrophobicContact CG-CD2 4.35Å; F120-Y127 HydrophobicContact CG-CG 4.48Å; F120-Y127 VanDerWaalsContact CZ-CB 3.43Å; F120-Y127 AromaticContact CZ-CD1 3.84Å; F120-Y127 HydrophobicContact CZ-CD1 3.84Å; F120-Y127 AromaticContact CZ-CD2 3.84Å; F120-Y127 HydrophobicContact CZ-CD2 3.84Å; F120-Y127 AromaticContact CZ-CG 3.43Å; F120-Y127 HydrophobicContact CZ-CG 3.43Å; F120-Y127 VanDerWaalsContact CZ-CG 3.43Å; F120-Y127 PolarHBondContact N-O 3.37Å; F120-Y127 PolarHBondContact O-N 3.17Å; F120-I129 HydrophobicContact CD1-CD1 4.09Å; F120-I129 HydrophobicContact CD1-CG1 4.35Å; F120-I129 HydrophobicContact CE1-CD1 4.23Å; F120-I129 HydrophobicContact CE1-CG1 4.2Å
121	H	96	Very high	96.4	Very high	69 Å²	69	43.7 Å²	43.7	32%	0.319	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152	179.2	69.9	134.5	0	0	0	110.2	L33 K86 H125 V126	L33-H121 HydrophobicContact CD1-CB 4.46Å; K86-H121 PolarHBondContact NZ-ND1 3.42Å; H121-H125 VanDerWaalsContact CA-O 3.25Å; H121-H125 WeakPolarHBondContact CA-O 3.47Å; H121-H125 WeakPolarHBondContact CB-O 3.41Å; H121-V126 HydrophobicContact CB-CG2 4.23Å
122	D	95.4	Very high	96.4	Very high	61 Å²	61	41.9 Å²	41.9	33%	0.326	19%	0.19	S	C	.	.			trans	-120	-166.5	168.7	68.1	16.8	0	0	0	109.5	K86 Q124 H125 Y127	K86-D122 VanDerWaalsContact CE-O 3.25Å; K86-D122 WeakPolarHBondContact CE-O 3.32Å; K86-D122 PolarHBondContact NZ-O 2.89Å; D122-Q124 PolarHBondContact O-N 2.8Å; D122-Q124 VanDerWaalsContact O-N 3.16Å; D122-Q124 PolarHBondContact OD1-N 3.37Å; D122-H125 PolarHBondContact N-O 3.38Å; D122-H125 PolarHBondContact OD1-N 2.91Å; D122-H125 IonicContact OD1-ND1 3.97Å; D122-Y127 HydrophobicContact CB-CE2 4.35Å; D122-Y127 PolarHBondContact OD2-OH 3.29Å
123	E	95.1	Very high	96.3	Very high	188 Å²	188	41.7 Å²	41.7	88%	0.879	19%	0.19	S	C	*	.	S	Bend	trans	-58.8	-29.1	-179.7	-65.3	-176.4	174	0	0	113.8
124	Q	95.7	Very high	96.2	Very high	129 Å²	129	46.2 Å²	46.2	60%	0.603	21%	0.21	S	C	*	.	S	Bend	trans	-110.6	-32.5	-168.1	-63.7	-176.2	-10.5	0	0	113.6	K86 D122	K86-Q124 WeakPolarHBondContact CB-O 3.44Å; K86-Q124 WeakPolarHBondContact CG-O 3.42Å; K86-Q124 PolarHBondContact N-O 2.94Å; D122-Q124 PolarHBondContact O-N 2.8Å; D122-Q124 VanDerWaalsContact O-N 3.16Å; D122-Q124 PolarHBondContact OD1-N 3.37Å
125	H	96.8	Very high	96.2	Very high	45 Å²	45	50.9 Å²	50.9	21%	0.208	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	155	-167.6	-59.2	95.1	0	0	0	113.2	L84 K86 H121 D122 Y127	L84-H125 CarbonylContact O-C 3.57Å; L84-H125 WeakPolarHBondContact O-CA 3.46Å; L84-H125 WeakPolarHBondContact O-CB 3.45Å; K86-H125 WeakPolarHBondContact CE-O 3.23Å; H121-H125 VanDerWaalsContact CA-O 3.25Å; H121-H125 WeakPolarHBondContact CA-O 3.47Å; H121-H125 WeakPolarHBondContact CB-O 3.41Å; D122-H125 PolarHBondContact N-O 3.38Å; D122-H125 PolarHBondContact OD1-N 2.91Å; D122-H125 IonicContact OD1-ND1 3.97Å; H125-Y127 HydrophobicContact CB-CD2 4.25Å; H125-Y127 HydrophobicContact CB-CE1 4.25Å; H125-Y127 HydrophobicContact CB-CE2 3.53Å
126	V	96.6	Very high	96.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	136.7	162	-178.3	0	0	0	0	107.4	L31 L33 L84 K86 L98 I102 W119 H121 L128	L31-V126 HydrophobicContact CD2-CG2 4.15Å; L33-V126 HydrophobicContact CD1-CG1 4.44Å; L33-V126 HydrophobicContact CD1-CG2 3.67Å; L84-V126 HydrophobicContact CB-CB 4.47Å; L84-V126 PolarHBondContact N-O 2.97Å; L84-V126 PolarHBondContact O-N 3.42Å; K86-V126 HydrophobicContact CG-CG2 3.98Å; L98-V126 HydrophobicContact CD2-CB 4.25Å; L98-V126 HydrophobicContact CD2-CG1 4.25Å; L98-V126 HydrophobicContact CD2-CG2 4.06Å; I102-V126 HydrophobicContact CD1-CG1 4.25Å; W119-V126 HydrophobicContact CE3-CG1 4.4Å; H121-V126 HydrophobicContact CB-CG2 4.23Å; V126-L128 HydrophobicContact CG1-CD2 4.09Å
127	Y	96.7	Very high	96	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.027	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.9	-175.3	-62	-90.6	0	0	0	109.5	M50 L81 K82 M83 W119 F120 D122 H125	M50-Y127 HydrophobicContact CE-CE1 4.19Å; M50-Y127 HydrophobicContact CG-CE1 3.81Å; M50-Y127 HydrophobicContact CG-CE2 4.29Å; M50-Y127 HydrophobicContact SD-CD1 3.6Å; M50-Y127 VanDerWaalsContact SD-CD1 3.6Å; M50-Y127 HydrophobicContact SD-CE1 3.16Å; M50-Y127 WeakPolarHBondContact SD-CE1 3.42Å; M50-Y127 HydrophobicContact SD-CG 4.46Å; L81-Y127 HydrophobicContact CD2-CD1 4.17Å; L81-Y127 HydrophobicContact CG-CD1 4.37Å; K82-Y127 WeakPolarHBondContact O-CA 3.38Å; M83-Y127 HydrophobicContact CB-CD1 4.36Å; M83-Y127 HydrophobicContact CB-CE1 4.26Å; M83-Y127 HydrophobicContact CE-CE1 3.57Å; M83-Y127 HydrophobicContact CG-CD1 3.67Å; M83-Y127 HydrophobicContact CG-CE1 3.6Å; M83-Y127 HydrophobicContact SD-CE1 4.1Å; W119-Y127 CarbonylContact C-O 3.44Å; W119-Y127 WeakPolarHBondContact CA-O 3.39Å; W119-Y127 VanDerWaalsContact CB-O 3.25Å; W119-Y127 WeakPolarHBondContact CB-O 3.47Å; F120-Y127 AromaticContact CD2-CD2 3.57Å; F120-Y127 HydrophobicContact CD2-CD2 3.57Å; F120-Y127 HydrophobicContact CD2-CE2 4.32Å; F120-Y127 AromaticContact CD2-CG 3.96Å; F120-Y127 HydrophobicContact CD2-CG 3.96Å; F120-Y127 VanDerWaalsContact CE1-CB 3.45Å; F120-Y127 HydrophobicContact CE1-CG 4.02Å; F120-Y127 HydrophobicContact CE2-CD1 4.05Å; F120-Y127 AromaticContact CE2-CD2 3.25Å; F120-Y127 HydrophobicContact CE2-CD2 3.25Å; F120-Y127 AromaticContact CE2-CE2 3.83Å; F120-Y127 HydrophobicContact CE2-CE2 3.83Å; F120-Y127 AromaticContact CE2-CG 3.39Å; F120-Y127 HydrophobicContact CE2-CG 3.39Å; F120-Y127 HydrophobicContact CG-CD2 4.35Å; F120-Y127 HydrophobicContact CG-CG 4.48Å; F120-Y127 VanDerWaalsContact CZ-CB 3.43Å; F120-Y127 AromaticContact CZ-CD1 3.84Å; F120-Y127 HydrophobicContact CZ-CD1 3.84Å; F120-Y127 AromaticContact CZ-CD2 3.84Å; F120-Y127 HydrophobicContact CZ-CD2 3.84Å; F120-Y127 AromaticContact CZ-CG 3.43Å; F120-Y127 HydrophobicContact CZ-CG 3.43Å; F120-Y127 VanDerWaalsContact CZ-CG 3.43Å; F120-Y127 PolarHBondContact N-O 3.37Å; F120-Y127 PolarHBondContact O-N 3.17Å; D122-Y127 HydrophobicContact CB-CE2 4.35Å; D122-Y127 PolarHBondContact OD2-OH 3.29Å; H125-Y127 HydrophobicContact CB-CD2 4.25Å; H125-Y127 HydrophobicContact CB-CE1 4.25Å; H125-Y127 HydrophobicContact CB-CE2 3.53Å
128	L	96.2	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126	173.1	-48.2	-173.3	0	0	0	109.4	K82 L84 L98 I102 L116 W119 V126 L130	K82-L128 HydrophobicContact CB-CB 4.22Å; K82-L128 HydrophobicContact CD-CD1 4.27Å; K82-L128 PolarHBondContact N-O 2.9Å; K82-L128 PolarHBondContact O-N 2.89Å; L84-L128 HydrophobicContact CD1-CD1 4.21Å; L84-L128 HydrophobicContact CD1-CG 4.34Å; L98-L128 HydrophobicContact CD1-CD1 4.49Å; I102-L128 HydrophobicContact CD1-CD2 3.85Å; I102-L128 HydrophobicContact CG1-CD2 3.71Å; L116-L128 HydrophobicContact CD1-CB 3.83Å; W119-L128 HydrophobicContact CB-CD2 3.64Å; V126-L128 HydrophobicContact CG1-CD2 4.09Å; L128-L130 HydrophobicContact CB-CD1 4.41Å; L128-L130 HydrophobicContact CB-CD2 4.41Å; L128-L130 HydrophobicContact CB-CG 4.16Å
129	I	96.8	Very high	96	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	98.1	179.2	-51.3	163.7	0	0	0	107.4	W48 F53 I79 L81 Y117 G118 F120	W48-I129 HydrophobicContact CB-CD1 4.39Å; W48-I129 HydrophobicContact CD2-CD1 3.49Å; W48-I129 VanDerWaalsContact CD2-CD1 3.49Å; W48-I129 HydrophobicContact CE3-CD1 3.4Å; W48-I129 VanDerWaalsContact CE3-CD1 3.4Å; W48-I129 HydrophobicContact CG-CD1 3.97Å; W48-I129 HydrophobicContact CH2-CD1 4.26Å; W48-I129 HydrophobicContact CZ2-CD1 4.35Å; W48-I129 HydrophobicContact CZ3-CD1 3.83Å; F53-I129 HydrophobicContact CE1-CD1 4.23Å; F53-I129 HydrophobicContact CE1-CG1 4.33Å; F53-I129 HydrophobicContact CE1-CG2 4.28Å; F53-I129 HydrophobicContact CE2-CD1 4.35Å; F53-I129 HydrophobicContact CZ-CD1 3.53Å; F53-I129 HydrophobicContact CZ-CG1 3.94Å; I79-I129 HydrophobicContact CB-CG2 4.1Å; I79-I129 HydrophobicContact CD1-CG2 3.97Å; I79-I129 HydrophobicContact CG1-CG2 3.97Å; I79-I129 HydrophobicContact CG2-CG2 4.06Å; L81-I129 HydrophobicContact CD1-CG1 4.04Å; Y117-I129 WeakPolarHBondContact CB-O 3.38Å; Y117-I129 HydrophobicContact CD2-CG2 4.21Å; Y117-I129 PolarHBondContact N-O 2.84Å; G118-I129 WeakPolarHBondContact O-CB 3.34Å; G118-I129 PolarHBondContact O-N 3.2Å; F120-I129 HydrophobicContact CD1-CD1 4.09Å; F120-I129 HydrophobicContact CD1-CG1 4.35Å; F120-I129 HydrophobicContact CE1-CD1 4.23Å; F120-I129 HydrophobicContact CE1-CG1 4.2Å
130	L	96.7	Very high	95.9	Very high	11 Å²	11	52.3 Å²	52.3	6%	0.058	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	155.6	-171	-61.8	167.5	0	0	0	111.9	I79 A80 K82 L114 R115 L116 L128 Y132	I79-L130 WeakPolarHBondContact CB-O 3.24Å; A80-L130 HydrophobicContact CB-CB 4.27Å; A80-L130 PolarHBondContact N-O 3.24Å; A80-L130 WeakPolarHBondContact O-CB 3.44Å; A80-L130 PolarHBondContact O-N 3.29Å; K82-L130 HydrophobicContact CB-CD1 3.83Å; K82-L130 HydrophobicContact CD-CD1 4Å; L114-L130 HydrophobicContact CD2-CB 4.35Å; L114-L130 HydrophobicContact CD2-CD1 4.39Å; L114-L130 HydrophobicContact CD2-CD2 4.38Å; R115-L130 CarbonylContact O-C 3.53Å; R115-L130 WeakPolarHBondContact O-CA 3.46Å; L116-L130 HydrophobicContact CB-CD2 4.13Å; L116-L130 HydrophobicContact CD1-CD2 3.69Å; L116-L130 HydrophobicContact CD1-CG 4.44Å; L128-L130 HydrophobicContact CB-CD1 4.41Å; L128-L130 HydrophobicContact CB-CD2 4.41Å; L128-L130 HydrophobicContact CB-CG 4.16Å; L130-Y132 PolarHBondContact O-N 3.11Å
131	E	97	Very high	95.9	Very high	33 Å²	33	52.8 Å²	52.8	15%	0.154	25%	0.246	C	C	.	.			trans	-52.6	134.2	162.9	176.8	173.9	-160.2	0	0	110.9	L114 R115 Y117 A133 K191	L114-E131 HydrophobicContact CD1-CB 3.88Å; L114-E131 HydrophobicContact CD1-CG 4.19Å; L114-E131 HydrophobicContact CG-CB 4.29Å; R115-E131 HydrophobicContact CB-CB 4.07Å; R115-E131 PolarHBondContact N-OE2 3.37Å; R115-E131 PolarHBondContact O-N 3.36Å; Y117-E131 HydrophobicContact CE2-CB 4.15Å; E131-A133 PolarHBondContact O-N 3.05Å; E131-K191 VanDerWaalsContact CD-CE 3.5Å; E131-K191 WeakPolarHBondContact OE1-CE 3.41Å; E131-K191 IonicContact OE1-NZ 2.67Å; E131-K191 PolarHBondContact OE1-NZ 3.32Å; E131-K191 WeakPolarHBondContact OE2-CE 3.24Å; E131-K191 IonicContact OE2-NZ 2.63Å; E131-K191 PolarHBondContact OE2-NZ 2.76Å
132	Y	97.2	Very high	95.8	Very high	46 Å²	46	50.1 Å²	50.1	18%	0.18	23%	0.234	C	C	.	.			trans	-84.8	107.7	173.9	175.5	-125.2	0	0	0	110.6	L59 L69 I78 L130 F134	L59-Y132 HydrophobicContact CD1-CD2 3.72Å; L59-Y132 HydrophobicContact CD1-CE2 3.65Å; L59-Y132 HydrophobicContact CD2-CE2 3.83Å; L59-Y132 HydrophobicContact CG-CE2 4.41Å; L69-Y132 HydrophobicContact CD1-CD1 3.93Å; L69-Y132 HydrophobicContact CD1-CD2 3.83Å; L69-Y132 HydrophobicContact CD1-CE1 3.94Å; L69-Y132 HydrophobicContact CD1-CE2 3.86Å; L69-Y132 HydrophobicContact CD1-CG 3.87Å; I78-Y132 HydrophobicContact CG2-CD1 3.99Å; I78-Y132 HydrophobicContact CG2-CG 4.4Å; L130-Y132 PolarHBondContact O-N 3.11Å; Y132-F134 HydrophobicContact CE1-CB 4.12Å; Y132-F134 AromaticContact CE1-CD2 3.77Å; Y132-F134 HydrophobicContact CE1-CD2 3.77Å; Y132-F134 HydrophobicContact CE1-CG 4.36Å; Y132-F134 PolarHBondContact O-N 2.97Å
133	A	96.8	Very high	95.7	Very high	7 Å²	7	50.4 Å²	50.4	6%	0.058	24%	0.238	C	C	.	.			trans	-85	100.9	171.7	0	0	0	0	0	110.3	L114 E131 H135 G136 L183 I184	L114-A133 HydrophobicContact CD1-CB 4.27Å; E131-A133 PolarHBondContact O-N 3.05Å; A133-H135 PolarHBondContact O-N 3.44Å; A133-G136 PolarHBondContact O-N 3.27Å; A133-L183 HydrophobicContact CB-CB 3.44Å; A133-L183 VanDerWaalsContact CB-CB 3.44Å; A133-L183 HydrophobicContact CB-CD1 3.89Å; A133-L183 HydrophobicContact CB-CG 4.3Å; A133-I184 CarbonylContact C-O 3.51Å; A133-I184 VanDerWaalsContact C-O 3.27Å; A133-I184 WeakPolarHBondContact CB-O 3.28Å
134	F	95.6	Very high	95.7	Very high	98 Å²	98	48.8 Å²	48.8	43%	0.43	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-41.5	-167.9	-179	-86.4	0	0	0	114.6	Y132 G136 I184 Y186	Y132-F134 HydrophobicContact CE1-CB 4.12Å; Y132-F134 AromaticContact CE1-CD2 3.77Å; Y132-F134 HydrophobicContact CE1-CD2 3.77Å; Y132-F134 HydrophobicContact CE1-CG 4.36Å; Y132-F134 PolarHBondContact O-N 2.97Å; F134-G136 VanDerWaalsContact C-N 3.27Å; F134-G136 PolarHBondContact O-N 2.81Å; F134-I184 PolarHBondContact N-O 2.75Å; F134-Y186 HydrophobicContact CB-CD2 4.29Å; F134-Y186 HydrophobicContact CD1-CD2 4.11Å; F134-Y186 HydrophobicContact CD2-CD2 4.12Å; F134-Y186 AromaticContact CG-CD2 3.92Å; F134-Y186 HydrophobicContact CG-CD2 3.92Å
135	H	95.8	Very high	95.7	Very high	104 Å²	104	46.9 Å²	46.9	48%	0.481	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	1.9	-177.7	-67.8	-55	0	0	0	112.8	A133 I184 D185 Y186	A133-H135 PolarHBondContact O-N 3.44Å; H135-I184 HydrophobicContact CB-CB 3.8Å; H135-I184 HydrophobicContact CB-CG2 3.86Å; H135-I184 PolarHBondContact N-O 3.11Å; H135-D185 PolarHBondContact CD2-O 3.26Å; H135-Y186 PolarHBondContact NE2-O 3.35Å
136	G	94.8	Very high	95.6	Very high	21 Å²	21	53 Å²	53	22%	0.216	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.4	-147	174.9	0	0	0	0	0	113.3	A133 F134 L183 I184	A133-G136 PolarHBondContact O-N 3.27Å; F134-G136 VanDerWaalsContact C-N 3.27Å; F134-G136 PolarHBondContact O-N 2.81Å; G136-L183 CarbonylContact O-C 3.52Å; G136-L183 WeakPolarHBondContact O-CA 3.4Å; G136-I184 PolarHBondContact O-N 2.98Å
137	E	94.5	Very high	95.6	Very high	61 Å²	61	56.1 Å²	56.1	29%	0.285	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.8	-174.1	-62.8	151.6	173	0	0	111.9	F139 R140 L183	E137-F139 HydrophobicContact CB-CB 4.46Å; E137-F139 PolarHBondContact O-N 2.9Å; E137-R140 HydrophobicContact CB-CG 4.37Å; E137-R140 PolarHBondContact O-N 3.2Å; E137-R140 IonicContact OE1-NH2 3.51Å; E137-R140 IonicContact OE2-CZ 2.8Å; E137-R140 IonicContact OE2-NE 3.28Å; E137-R140 PolarHBondContact OE2-NE 2.67Å; E137-R140 IonicContact OE2-NH2 2.79Å; E137-R140 PolarHBondContact OE2-NH2 2.51Å; E137-R140 VanDerWaalsContact OE2-NH2 3.11Å; E137-L183 HydrophobicContact CB-CD2 4.26Å; E137-L183 HydrophobicContact CG-CD2 3.7Å
138	L	96.6	Very high	95.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.2	-33.2	173.7	176.2	62.7	0	0	0	111.8	R140 Q141 L142 Y156 P179 I182 I184 L190 F243	L138-R140 PolarHBondContact O-N 2.96Å; L138-Q141 HydrophobicContact CD1-CB 4.48Å; L138-Q141 WeakPolarHBondContact O-CB 3.35Å; L138-Q141 PolarHBondContact O-N 3.29Å; L138-Q141 VanDerWaalsContact O-N 3.1Å; L138-L142 HydrophobicContact CG-CD1 4.44Å; L138-L142 HydrophobicContact CG-CG 4.44Å; L138-L142 PolarHBondContact O-N 3.47Å; L138-Y156 HydrophobicContact CD1-CD2 4.06Å; L138-Y156 HydrophobicContact CD1-CE2 3.61Å; L138-P179 HydrophobicContact CG-CB 4.43Å; L138-P179 PolarHBondContact N-O 3.44Å; L138-I182 HydrophobicContact CB-CB 4.12Å; L138-I182 HydrophobicContact CB-CG2 4.15Å; L138-I182 WeakPolarHBondContact CB-O 3.37Å; L138-I182 HydrophobicContact CD2-CB 4.11Å; L138-I182 HydrophobicContact CD2-CD1 4.19Å; L138-I182 HydrophobicContact CD2-CG2 3.88Å; L138-I182 PolarHBondContact N-O 3.12Å; L138-I184 HydrophobicContact CB-CD1 4.27Å; L138-I184 HydrophobicContact CB-CG1 4.34Å; L138-I184 HydrophobicContact CD1-CD1 3.85Å; L138-I184 HydrophobicContact CD1-CG1 4.46Å; L138-L190 HydrophobicContact CD1-CD2 4.31Å; L138-L190 HydrophobicContact CD2-CD1 4.47Å; L138-L190 HydrophobicContact CD2-CD2 4.24Å; L138-F243 HydrophobicContact CD2-CE1 3.73Å; L138-F243 HydrophobicContact CD2-CZ 3.72Å; L138-F243 HydrophobicContact CG-CE1 4.44Å
139	F	94.2	Very high	95.7	Very high	81 Å²	81	59.4 Å²	59.4	36%	0.355	29%	0.285	S	S	.	.	H	α-helix	trans	-50.7	-43.7	173.1	-178.6	-100.3	0	0	0	112.8	E137 Q141 L142 V143 P179 E180	E137-F139 HydrophobicContact CB-CB 4.46Å; E137-F139 PolarHBondContact O-N 2.9Å; F139-Q141 PolarHBondContact O-N 2.76Å; F139-L142 PolarHBondContact O-N 3.21Å; F139-V143 HydrophobicContact CD1-CG2 4.1Å; F139-V143 HydrophobicContact CE1-CG2 3.64Å; F139-V143 HydrophobicContact CE2-CG2 4.23Å; F139-V143 HydrophobicContact CZ-CG2 3.71Å; F139-V143 WeakPolarHBondContact O-CG2 3.28Å; F139-V143 PolarHBondContact O-N 2.67Å; F139-P179 HydrophobicContact CB-CB 3.83Å; F139-P179 HydrophobicContact CD2-CB 4.27Å; F139-P179 PolarHBondContact N-O 3.31Å; F139-E180 HydrophobicContact CB-CG 4.01Å; F139-E180 HydrophobicContact CD2-CG 4.07Å; F139-E180 HydrophobicContact CG-CG 3.97Å
140	R	94	Very high	95.8	Very high	117 Å²	117	61.7 Å²	61.7	44%	0.442	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-42.2	179.7	-63.6	-176.7	-165.8	-177.7	5.6	111.3	E137 L138 L142 V143 E144	E137-R140 HydrophobicContact CB-CG 4.37Å; E137-R140 PolarHBondContact O-N 3.2Å; E137-R140 IonicContact OE1-NH2 3.51Å; E137-R140 IonicContact OE2-CZ 2.8Å; E137-R140 IonicContact OE2-NE 3.28Å; E137-R140 PolarHBondContact OE2-NE 2.67Å; E137-R140 IonicContact OE2-NH2 2.79Å; E137-R140 PolarHBondContact OE2-NH2 2.51Å; E137-R140 VanDerWaalsContact OE2-NH2 3.11Å; L138-R140 PolarHBondContact O-N 2.96Å; R140-L142 VanDerWaalsContact C-N 3.31Å; R140-L142 PolarHBondContact O-N 3.31Å; R140-V143 PolarHBondContact O-N 3.34Å; R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 3.32Å
141	Q	95.4	Very high	95.8	Very high	26 Å²	26	68.2 Å²	68.2	12%	0.121	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-42.3	174.9	-168.8	-169.1	-46.6	0	0	111.4	L138 F139 E144 Q145 Y156 I184	L138-Q141 HydrophobicContact CD1-CB 4.48Å; L138-Q141 WeakPolarHBondContact O-CB 3.35Å; L138-Q141 PolarHBondContact O-N 3.29Å; L138-Q141 VanDerWaalsContact O-N 3.1Å; F139-Q141 PolarHBondContact O-N 2.76Å; Q141-E144 PolarHBondContact O-N 3.46Å; Q141-Q145 HydrophobicContact CG-CG 4.21Å; Q141-Q145 WeakPolarHBondContact O-CB 3.15Å; Q141-Q145 WeakPolarHBondContact O-CG 3.4Å; Q141-Q145 PolarHBondContact O-N 3.42Å; Q141-Y156 PolarHBondContact OE1-OH 3.33Å; Q141-I184 HydrophobicContact CB-CD1 4.2Å
142	L	94.8	Very high	95.9	Very high	13 Å²	13	69.1 Å²	69.1	7%	0.068	33%	0.328	C	S	.	.	H	α-helix	trans	-68	-37	178.8	-67.1	178.8	0	0	0	112.7	L138 F139 R140 E144 R146 L148 P179 E242 F243	L138-L142 HydrophobicContact CG-CD1 4.44Å; L138-L142 HydrophobicContact CG-CG 4.44Å; L138-L142 PolarHBondContact O-N 3.47Å; F139-L142 PolarHBondContact O-N 3.21Å; R140-L142 VanDerWaalsContact C-N 3.31Å; R140-L142 PolarHBondContact O-N 3.31Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-R146 WeakPolarHBondContact O-CA 3.13Å; L142-R146 PolarHBondContact O-N 3.11Å; L142-L148 HydrophobicContact CD2-CD1 4.02Å; L142-L148 HydrophobicContact CD2-CD2 4Å; L142-L148 HydrophobicContact CD2-CG 3.82Å; L142-P179 HydrophobicContact CD1-CB 3.84Å; L142-P179 HydrophobicContact CD1-CG 3.67Å; L142-E242 HydrophobicContact CD1-CG 4.4Å; L142-F243 HydrophobicContact CD1-CD1 4.04Å; L142-F243 HydrophobicContact CD1-CE1 4.03Å; L142-F243 HydrophobicContact CD2-CD1 3.79Å; L142-F243 HydrophobicContact CD2-CE1 4.33Å
143	V	93.4	Very high	95.9	Very high	67 Å²	67	66.9 Å²	66.9	41%	0.406	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-42.5	174.1	170.2	0	0	0	0	111.1	F139 R140 R146	F139-V143 HydrophobicContact CD1-CG2 4.1Å; F139-V143 HydrophobicContact CE1-CG2 3.64Å; F139-V143 HydrophobicContact CE2-CG2 4.23Å; F139-V143 HydrophobicContact CZ-CG2 3.71Å; F139-V143 WeakPolarHBondContact O-CG2 3.28Å; F139-V143 PolarHBondContact O-N 2.67Å; R140-V143 PolarHBondContact O-N 3.34Å; V143-R146 PolarHBondContact O-NE 3.26Å
144	E	94.4	Very high	96	Very high	154 Å²	154	66.6 Å²	66.6	72%	0.72	32%	0.316	S	S	*	.	H	α-helix	trans	-72.4	-48.1	-179	-71.8	173.4	-171.6	0	0	112.7	R140 Q141 L142	R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 3.32Å; Q141-E144 PolarHBondContact O-N 3.46Å; L142-E144 VanDerWaalsContact C-N 3.33Å
145	Q	95.2	Very high	96.1	Very high	89 Å²	89	64 Å²	64	42%	0.416	31%	0.305	S	S	.	.	H	α-helix	trans	-85.9	-18.7	-174.1	-64.8	-177.5	-1.8	0	0	113.4	Q141 T147 L148	Q141-Q145 HydrophobicContact CG-CG 4.21Å; Q141-Q145 WeakPolarHBondContact O-CB 3.15Å; Q141-Q145 WeakPolarHBondContact O-CG 3.4Å; Q141-Q145 PolarHBondContact O-N 3.42Å; Q145-T147 PolarHBondContact O-N 2.98Å; Q145-L148 HydrophobicContact CB-CD2 4.44Å
146	R	94.2	Very high	96.3	Very high	173 Å²	173	59.3 Å²	59.3	65%	0.653	28%	0.283	S	S	*	.	S	Bend	trans	63.6	-50.9	-170.3	-54.8	-60.9	-175.9	174.6	-3.2	113.7	L142 V143 G246	L142-R146 WeakPolarHBondContact O-CA 3.13Å; L142-R146 PolarHBondContact O-N 3.11Å; V143-R146 PolarHBondContact O-NE 3.26Å; R146-G246 WeakPolarHBondContact O-CA 3.36Å
147	T	96.6	Very high	96.4	Very high	66 Å²	66	58.3 Å²	58.3	41%	0.405	27%	0.273	S	S	.	.	S	Bend	trans	-135	158	175.3	59.1	0	0	0	0	110.6	Q145 F243	Q145-T147 PolarHBondContact O-N 2.98Å; T147-F243 CarbonylContact C-O 3.58Å; T147-F243 WeakPolarHBondContact CA-O 3.08Å
148	L	97.9	Very high	96.6	Very high	8 Å²	8	56.5 Å²	56.5	4%	0.042	26%	0.263	C	S	.	.			trans	-104.1	149.7	174.5	-53.6	-172.3	0	0	0	109.7	L142 Q145 Q152 A153 Y156 F243	L142-L148 HydrophobicContact CD2-CD1 4.02Å; L142-L148 HydrophobicContact CD2-CD2 4Å; L142-L148 HydrophobicContact CD2-CG 3.82Å; Q145-L148 HydrophobicContact CB-CD2 4.44Å; L148-Q152 HydrophobicContact CB-CB 4.46Å; L148-Q152 HydrophobicContact CD1-CG 4.39Å; L148-A153 HydrophobicContact CB-CB 4.49Å; L148-Y156 HydrophobicContact CD1-CD2 3.65Å; L148-Y156 HydrophobicContact CD1-CE2 3.76Å; L148-F243 HydrophobicContact CB-CB 4.33Å; L148-F243 HydrophobicContact CD1-CB 4.02Å; L148-F243 HydrophobicContact CD1-CD1 3.94Å; L148-F243 HydrophobicContact CD1-CD2 4.22Å; L148-F243 HydrophobicContact CD1-CE1 4.49Å; L148-F243 HydrophobicContact CD1-CG 3.79Å; L148-F243 HydrophobicContact CG-CB 4.2Å; L148-F243 HydrophobicContact CG-CG 4.46Å; L148-F243 PolarHBondContact N-O 2.78Å
149	S	97.6	Very high	96.7	Very high	68 Å²	68	56.9 Å²	56.9	48%	0.476	27%	0.265	S	S	.	.			trans	-62.4	152.5	167.7	69.3	0	0	0	0	111	K151 Q152 A153	S149-K151 PolarHBondContact O-N 2.83Å; S149-Q152 PolarHBondContact O-N 2.88Å; S149-Q152 WeakPolarHBondContact OG-CB 3.48Å; S149-Q152 PolarHBondContact OG-N 3.46Å; S149-A153 WeakPolarHBondContact O-CB 3.45Å; S149-A153 PolarHBondContact O-N 2.9Å
150	E	98.3	Very high	96.9	Very high	52 Å²	52	53 Å²	53	24%	0.243	25%	0.249	C	C	.	.	H	α-helix	trans	-57.4	-35.8	177.3	-68.4	-155	171	0	0	112.8	A153 A154 L244 S274 W303	E150-A153 PolarHBondContact O-N 2.85Å; E150-A154 WeakPolarHBondContact O-CB 3.47Å; E150-A154 PolarHBondContact O-N 2.92Å; E150-L244 HydrophobicContact CG-CD2 4.09Å; E150-S274 VanDerWaalsContact CD-OG 3.27Å; E150-S274 WeakPolarHBondContact OE1-CB 3.22Å; E150-S274 PolarHBondContact OE1-N 2.85Å; E150-S274 PolarHBondContact OE1-OG 3.25Å; E150-S274 PolarHBondContact OE2-OG 2.94Å; E150-W303 HydrophobicContact CB-CZ2 3.74Å; E150-W303 HydrophobicContact CG-CZ2 3.95Å; E150-W303 PolarHBondContact OE2-NE1 2.81Å
151	K	97.8	Very high	97.1	Very high	149 Å²	149	47.5 Å²	47.5	65%	0.648	23%	0.228	S	C	*	.	H	α-helix	trans	-61.5	-45	175.4	-67.8	-176.4	179.7	177	0	112.1	S149 K155	S149-K151 PolarHBondContact O-N 2.83Å; K151-K155 PolarHBondContact O-N 2.92Å
152	Q	97.8	Very high	97.2	Very high	51 Å²	51	48.2 Å²	48.2	24%	0.238	23%	0.232	C	C	.	.	H	α-helix	trans	-71.3	-43.7	179	-172.1	170.7	22.5	0	0	111.5	L148 S149 A154 K155 Y156	L148-Q152 HydrophobicContact CB-CB 4.46Å; L148-Q152 HydrophobicContact CD1-CG 4.39Å; S149-Q152 PolarHBondContact O-N 2.88Å; S149-Q152 WeakPolarHBondContact OG-CB 3.48Å; S149-Q152 PolarHBondContact OG-N 3.46Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.44Å; Q152-K155 WeakPolarHBondContact O-CB 3.38Å; Q152-K155 PolarHBondContact O-N 2.82Å; Q152-Y156 HydrophobicContact CG-CD2 4.34Å; Q152-Y156 HydrophobicContact CG-CE1 4.18Å; Q152-Y156 HydrophobicContact CG-CE2 3.99Å; Q152-Y156 PolarHBondContact NE2-OH 2.85Å; Q152-Y156 VanDerWaalsContact NE2-OH 3.09Å; Q152-Y156 WeakPolarHBondContact O-CB 3.44Å; Q152-Y156 PolarHBondContact O-N 3.09Å
153	A	98.4	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.7	-44.1	174.7	0	0	0	0	0	111.2	L148 S149 E150 Y156 I157 L240 F243 L244 W303	L148-A153 HydrophobicContact CB-CB 4.49Å; S149-A153 WeakPolarHBondContact O-CB 3.45Å; S149-A153 PolarHBondContact O-N 2.9Å; E150-A153 PolarHBondContact O-N 2.85Å; A153-Y156 PolarHBondContact O-N 3.48Å; A153-I157 WeakPolarHBondContact O-CB 3.4Å; A153-I157 WeakPolarHBondContact O-CG1 3.44Å; A153-I157 PolarHBondContact O-N 2.78Å; A153-L240 HydrophobicContact CB-CD1 4.24Å; A153-F243 HydrophobicContact CB-CB 4.05Å; A153-F243 HydrophobicContact CB-CD2 4.13Å; A153-L244 HydrophobicContact CB-CD2 3.82Å; A153-L244 HydrophobicContact CB-CG 4.44Å; A153-W303 HydrophobicContact CB-CH2 4.01Å
154	A	98.5	Very high	97.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.9	-43	176.6	0	0	0	0	0	112.6	E150 Q152 Y156 Y158 W303 I304 N307	E150-A154 WeakPolarHBondContact O-CB 3.47Å; E150-A154 PolarHBondContact O-N 2.92Å; Q152-A154 VanDerWaalsContact C-N 3.33Å; Q152-A154 PolarHBondContact O-N 3.44Å; A154-Y156 VanDerWaalsContact C-N 3.35Å; A154-Y156 PolarHBondContact O-N 2.8Å; A154-Y158 VanDerWaalsContact O-CB 3.3Å; A154-Y158 WeakPolarHBondContact O-CB 3.42Å; A154-Y158 PolarHBondContact O-N 2.89Å; A154-W303 HydrophobicContact CB-CE3 4.38Å; A154-W303 HydrophobicContact CB-CH2 3.92Å; A154-W303 HydrophobicContact CB-CZ3 3.82Å; A154-I304 HydrophobicContact CB-CD1 4Å; A154-N307 HydrophobicContact CB-CB 3.48Å; A154-N307 VanDerWaalsContact CB-CB 3.48Å
155	K	98.2	Very high	97.5	Very high	44 Å²	44	37.9 Å²	37.9	19%	0.191	18%	0.18	C	C	.	.	H	α-helix	trans	-55.8	-50.3	172	176.5	-176.4	178.9	-167.1	0	110.9	K151 Q152 Y158 Q159 G188 N189 Y308	K151-K155 PolarHBondContact O-N 2.92Å; Q152-K155 WeakPolarHBondContact O-CB 3.38Å; Q152-K155 PolarHBondContact O-N 2.82Å; K155-Y158 PolarHBondContact O-N 2.92Å; K155-Q159 VanDerWaalsContact CE-NE2 3.32Å; K155-Q159 WeakPolarHBondContact O-CG 3.45Å; K155-Q159 PolarHBondContact O-N 2.96Å; K155-G188 PolarHBondContact NZ-O 3.41Å; K155-N189 WeakPolarHBondContact CE-OD1 3.28Å; K155-N189 PolarHBondContact NZ-OD1 3.32Å; K155-Y308 HydrophobicContact CB-CD2 3.59Å; K155-Y308 HydrophobicContact CB-CE2 3.77Å; K155-Y308 HydrophobicContact CB-CG 4.02Å; K155-Y308 HydrophobicContact CD-CE2 4.13Å; K155-Y308 HydrophobicContact CG-CD2 3.96Å; K155-Y308 HydrophobicContact CG-CE1 4.49Å; K155-Y308 HydrophobicContact CG-CE2 3.56Å
156	Y	98.6	Very high	97.6	Very high	5 Å²	5	36.2 Å²	36.2	2%	0.02	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-45.6	-176.9	-76.8	3.8	0	0	0	112.1	L138 Q141 L148 Q152 A153 A154 Y158 Q159 M160 L190 F243	L138-Y156 HydrophobicContact CD1-CD2 4.06Å; L138-Y156 HydrophobicContact CD1-CE2 3.61Å; Q141-Y156 PolarHBondContact OE1-OH 3.33Å; L148-Y156 HydrophobicContact CD1-CD2 3.65Å; L148-Y156 HydrophobicContact CD1-CE2 3.76Å; Q152-Y156 HydrophobicContact CG-CD2 4.34Å; Q152-Y156 HydrophobicContact CG-CE1 4.18Å; Q152-Y156 HydrophobicContact CG-CE2 3.99Å; Q152-Y156 PolarHBondContact NE2-OH 2.85Å; Q152-Y156 VanDerWaalsContact NE2-OH 3.09Å; Q152-Y156 WeakPolarHBondContact O-CB 3.44Å; Q152-Y156 PolarHBondContact O-N 3.09Å; A153-Y156 PolarHBondContact O-N 3.48Å; A154-Y156 VanDerWaalsContact C-N 3.35Å; A154-Y156 PolarHBondContact O-N 2.8Å; Y156-Y158 PolarHBondContact O-N 2.87Å; Y156-Q159 PolarHBondContact O-N 2.65Å; Y156-M160 VanDerWaalsContact O-CG 3.3Å; Y156-M160 WeakPolarHBondContact O-CG 3.11Å; Y156-M160 PolarHBondContact O-N 3.38Å; Y156-L190 HydrophobicContact CD1-CD1 3.99Å; Y156-L190 HydrophobicContact CD1-CD2 3.84Å; Y156-L190 HydrophobicContact CD1-CG 3.66Å; Y156-L190 HydrophobicContact CD2-CD1 4.12Å; Y156-L190 HydrophobicContact CD2-CD2 3.95Å; Y156-L190 HydrophobicContact CD2-CG 4.32Å; Y156-L190 HydrophobicContact CE1-CD2 3.81Å; Y156-L190 HydrophobicContact CE1-CG 4.08Å; Y156-L190 HydrophobicContact CE2-CD2 3.92Å; Y156-L190 HydrophobicContact CG-CD1 3.62Å; Y156-L190 HydrophobicContact CG-CD2 3.92Å; Y156-L190 HydrophobicContact CG-CG 3.8Å; Y156-F243 HydrophobicContact CD2-CE2 4.31Å; Y156-F243 HydrophobicContact CD2-CZ 4.39Å
157	I	98.6	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-38.9	176.4	-65.6	-56.3	0	0	0	111.9	A153 M160 A161 L236 L239 L240 F243 L280 V298 I304	A153-I157 WeakPolarHBondContact O-CB 3.4Å; A153-I157 WeakPolarHBondContact O-CG1 3.44Å; A153-I157 PolarHBondContact O-N 2.78Å; I157-M160 PolarHBondContact O-N 3.07Å; I157-A161 VanDerWaalsContact O-CB 3.31Å; I157-A161 WeakPolarHBondContact O-CB 3.25Å; I157-A161 PolarHBondContact O-N 3.23Å; I157-L236 HydrophobicContact CD1-CD1 3.54Å; I157-L236 HydrophobicContact CD1-CG 4.18Å; I157-L236 HydrophobicContact CG2-CD1 4.27Å; I157-L236 HydrophobicContact CG2-CD2 4.38Å; I157-L236 HydrophobicContact CG2-CG 4.34Å; I157-L239 HydrophobicContact CD1-CB 4.45Å; I157-L240 HydrophobicContact CD1-CB 3.73Å; I157-L240 HydrophobicContact CG1-CB 3.93Å; I157-L240 HydrophobicContact CG1-CD1 3.91Å; I157-L240 HydrophobicContact CG1-CG 4.31Å; I157-F243 HydrophobicContact CD1-CD2 4.18Å; I157-F243 HydrophobicContact CD1-CE2 3.79Å; I157-F243 HydrophobicContact CG1-CD2 4.36Å; I157-F243 HydrophobicContact CG1-CE2 4.25Å; I157-L280 HydrophobicContact CG2-CD2 4.41Å; I157-V298 HydrophobicContact CG2-CG1 3.8Å; I157-I304 HydrophobicContact CB-CD1 4.07Å; I157-I304 HydrophobicContact CG2-CD1 3.94Å
158	Y	98.3	Very high	97.3	Very high	23 Å²	23	26.1 Å²	26.1	9%	0.09	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-48.1	173.3	-179.1	-79.8	0	0	0	111.4	A154 K155 Y156 M160 A161 D162 K299 I304 Y308 P310	A154-Y158 VanDerWaalsContact O-CB 3.3Å; A154-Y158 WeakPolarHBondContact O-CB 3.42Å; A154-Y158 PolarHBondContact O-N 2.89Å; K155-Y158 PolarHBondContact O-N 2.92Å; Y156-Y158 PolarHBondContact O-N 2.87Å; Y158-M160 PolarHBondContact O-N 3.48Å; Y158-A161 PolarHBondContact O-N 2.94Å; Y158-D162 WeakPolarHBondContact O-CB 3.17Å; Y158-D162 PolarHBondContact O-N 3.48Å; Y158-K299 HydrophobicContact CD2-CB 4.08Å; Y158-K299 HydrophobicContact CD2-CG 4.09Å; Y158-K299 HydrophobicContact CE2-CB 3.88Å; Y158-K299 HydrophobicContact CE2-CD 4.4Å; Y158-K299 VanDerWaalsContact CE2-CE 3.5Å; Y158-K299 HydrophobicContact CE2-CG 4.05Å; Y158-K299 VanDerWaalsContact OH-CE 3.23Å; Y158-K299 WeakPolarHBondContact OH-CE 3.47Å; Y158-I304 HydrophobicContact CD2-CG2 3.92Å; Y158-Y308 HydrophobicContact CD1-CD1 4.11Å; Y158-Y308 AromaticContact CD1-CE1 3.56Å; Y158-Y308 HydrophobicContact CD1-CE1 3.56Å; Y158-Y308 HydrophobicContact CD2-CD1 4.15Å; Y158-Y308 HydrophobicContact CD2-CE1 4.36Å; Y158-Y308 HydrophobicContact CE1-CE1 4.19Å; Y158-Y308 AromaticContact CG-CD1 3.71Å; Y158-Y308 HydrophobicContact CG-CD1 3.71Å; Y158-Y308 AromaticContact CG-CE1 3.67Å; Y158-Y308 HydrophobicContact CG-CE1 3.67Å; Y158-P310 HydrophobicContact CE1-CB 3.76Å; Y158-P310 HydrophobicContact CE1-CG 4.44Å; Y158-P310 HydrophobicContact CE2-CB 4.12Å; Y158-P310 HydrophobicContact CE2-CG 3.91Å; Y158-P310 WeakPolarHBondContact OH-CB 3.06Å
159	Q	98.3	Very high	97	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-42.6	179.7	-76.5	-178.2	-13.1	0	0	112.4	N112 K155 Y156 D162 A163 N189	N112-Q159 HydrophobicContact CB-CB 4.41Å; N112-Q159 VanDerWaalsContact ND2-CD 3.34Å; N112-Q159 PolarHBondContact ND2-OE1 3.31Å; K155-Q159 VanDerWaalsContact CE-NE2 3.32Å; K155-Q159 WeakPolarHBondContact O-CG 3.45Å; K155-Q159 PolarHBondContact O-N 2.96Å; Y156-Q159 PolarHBondContact O-N 2.65Å; Q159-D162 PolarHBondContact O-N 2.96Å; Q159-A163 WeakPolarHBondContact O-CB 3.45Å; Q159-A163 PolarHBondContact O-N 2.97Å; Q159-N189 PolarHBondContact NE2-OD1 2.89Å
160	M	98.3	Very high	96.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-46.2	175.1	-70.3	-61.7	-65.8	0	0	111.3	Y156 I157 Y158 D162 A163 L164 I177 I182 L190 I192 L236 L239	Y156-M160 VanDerWaalsContact O-CG 3.3Å; Y156-M160 WeakPolarHBondContact O-CG 3.11Å; Y156-M160 PolarHBondContact O-N 3.38Å; I157-M160 PolarHBondContact O-N 3.07Å; Y158-M160 PolarHBondContact O-N 3.48Å; M160-D162 VanDerWaalsContact C-N 3.32Å; M160-D162 PolarHBondContact O-N 3.22Å; M160-A163 PolarHBondContact O-N 3.36Å; M160-L164 WeakPolarHBondContact O-CB 3.4Å; M160-L164 WeakPolarHBondContact O-CG 3.42Å; M160-L164 PolarHBondContact O-N 3.1Å; M160-I177 HydrophobicContact CE-CD1 3.84Å; M160-I177 HydrophobicContact CE-CG2 3.85Å; M160-I182 HydrophobicContact CE-CD1 3.61Å; M160-I182 HydrophobicContact CE-CG1 4.11Å; M160-I182 HydrophobicContact SD-CD1 3.9Å; M160-I182 HydrophobicContact SD-CG1 4.23Å; M160-I182 HydrophobicContact SD-CG2 4.37Å; M160-L190 HydrophobicContact CG-CD1 3.72Å; M160-L190 HydrophobicContact SD-CD1 3.96Å; M160-I192 HydrophobicContact CE-CD1 3.64Å; M160-I192 HydrophobicContact CE-CG1 3.74Å; M160-I192 HydrophobicContact SD-CD1 3.93Å; M160-I192 HydrophobicContact SD-CG1 3.66Å; M160-L236 HydrophobicContact CB-CD1 3.49Å; M160-L236 VanDerWaalsContact CB-CD1 3.49Å; M160-L236 HydrophobicContact CG-CD1 4.25Å; M160-L239 HydrophobicContact CE-CD1 4.25Å
161	A	97.9	Very high	96	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-41.6	177.9	0	0	0	0	0	111.8	I157 Y158 L164 I165 L236 L295 V298 K299	I157-A161 VanDerWaalsContact O-CB 3.31Å; I157-A161 WeakPolarHBondContact O-CB 3.25Å; I157-A161 PolarHBondContact O-N 3.23Å; Y158-A161 PolarHBondContact O-N 2.94Å; A161-L164 PolarHBondContact O-N 3.09Å; A161-I165 WeakPolarHBondContact O-CD1 3.39Å; A161-I165 VanDerWaalsContact O-CG1 3.22Å; A161-I165 WeakPolarHBondContact O-CG1 3.44Å; A161-I165 PolarHBondContact O-N 3.04Å; A161-L236 HydrophobicContact CB-CD2 4.22Å; A161-L295 HydrophobicContact CB-CD2 4.27Å; A161-V298 HydrophobicContact CB-CB 4.24Å; A161-V298 HydrophobicContact CB-CG1 3.95Å; A161-K299 HydrophobicContact CB-CG 3.88Å
162	D	97.7	Very high	95.5	Very high	42 Å²	42	26.3 Å²	26.3	23%	0.225	12%	0.122	C	C	.	.	H	α-helix	trans	-62.5	-47.4	177	-162.6	49.5	0	0	0	112.4	H110 Y158 Q159 M160 L164 I165 Y166 K299	H110-D162 IonicContact CE1-OD2 3.76Å; H110-D162 PolarHBondContact CE1-OD2 3.3Å; H110-D162 IonicContact NE2-OD2 2.76Å; H110-D162 PolarHBondContact NE2-OD2 2.79Å; Y158-D162 WeakPolarHBondContact O-CB 3.17Å; Y158-D162 PolarHBondContact O-N 3.48Å; Q159-D162 PolarHBondContact O-N 2.96Å; M160-D162 VanDerWaalsContact C-N 3.32Å; M160-D162 PolarHBondContact O-N 3.22Å; D162-L164 PolarHBondContact O-N 3.24Å; D162-I165 PolarHBondContact O-N 3.02Å; D162-Y166 PolarHBondContact O-N 2.91Å; D162-Y166 VanDerWaalsContact O-N 3.15Å; D162-K299 HydrophobicContact CB-CD 4.31Å; D162-K299 IonicContact OD1-NZ 3.37Å; D162-K299 PolarHBondContact OD1-NZ 3.29Å
163	A	97.4	Very high	95	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-43.3	175.6	0	0	0	0	0	112.5	N112 V113 Q159 M160 Y166 L167 I192	N112-A163 HydrophobicContact CB-CB 3.93Å; V113-A163 HydrophobicContact CG2-CB 4.08Å; Q159-A163 WeakPolarHBondContact O-CB 3.45Å; Q159-A163 PolarHBondContact O-N 2.97Å; M160-A163 PolarHBondContact O-N 3.36Å; A163-Y166 WeakPolarHBondContact O-CB 3.22Å; A163-Y166 PolarHBondContact O-N 2.73Å; A163-L167 VanDerWaalsContact O-CG 3.32Å; A163-L167 WeakPolarHBondContact O-CG 3.34Å; A163-L167 PolarHBondContact O-N 3.47Å; A163-I192 HydrophobicContact CB-CD1 3.6Å; A163-I192 HydrophobicContact CB-CG1 4.37Å
164	L	96.5	Very high	94.5	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-66.9	-39.3	-179.9	-71.4	172	0	0	0	111.8	M160 A161 D162 Y166 L167 H168 I177 I192 D232 L295	M160-L164 WeakPolarHBondContact O-CB 3.4Å; M160-L164 WeakPolarHBondContact O-CG 3.42Å; M160-L164 PolarHBondContact O-N 3.1Å; A161-L164 PolarHBondContact O-N 3.09Å; D162-L164 PolarHBondContact O-N 3.24Å; L164-Y166 VanDerWaalsContact C-N 3.29Å; L164-Y166 PolarHBondContact O-N 3.25Å; L164-L167 HydrophobicContact CD2-CD1 4.47Å; L164-L167 PolarHBondContact O-N 3.24Å; L164-H168 VanDerWaalsContact O-CB 3.25Å; L164-H168 WeakPolarHBondContact O-CB 3.34Å; L164-H168 PolarHBondContact O-CD2 3.49Å; L164-H168 VanDerWaalsContact O-CD2 3.22Å; L164-H168 PolarHBondContact O-N 3.42Å; L164-I177 HydrophobicContact CD2-CD1 4.15Å; L164-I177 HydrophobicContact CD2-CG1 4.47Å; L164-I192 HydrophobicContact CD2-CD1 4.27Å; L164-I192 HydrophobicContact CG-CD1 4.36Å; L164-D232 HydrophobicContact CD1-CB 4.04Å; L164-D232 HydrophobicContact CD2-CB 3.87Å; L164-L295 HydrophobicContact CB-CD1 3.53Å; L164-L295 HydrophobicContact CB-CD2 4.32Å; L164-L295 HydrophobicContact CD1-CD2 4.19Å
165	I	95.4	Very high	94	Very high	16 Å²	16	27 Å²	27	8%	0.082	12%	0.122	C	C	.	.	H	α-helix	trans	-57.7	-46.1	172.5	-69.9	162.6	0	0	0	110.2	A161 D162 H168 K169 L295 E296 K299	A161-I165 WeakPolarHBondContact O-CD1 3.39Å; A161-I165 VanDerWaalsContact O-CG1 3.22Å; A161-I165 WeakPolarHBondContact O-CG1 3.44Å; A161-I165 PolarHBondContact O-N 3.04Å; D162-I165 PolarHBondContact O-N 3.02Å; I165-H168 PolarHBondContact O-N 3.1Å; I165-K169 HydrophobicContact CG2-CD 4.11Å; I165-K169 WeakPolarHBondContact O-CB 2.97Å; I165-K169 VanDerWaalsContact O-CG 3.31Å; I165-K169 WeakPolarHBondContact O-CG 3.41Å; I165-K169 PolarHBondContact O-N 3.16Å; I165-L295 HydrophobicContact CD1-CB 3.9Å; I165-L295 HydrophobicContact CG1-CB 3.44Å; I165-L295 VanDerWaalsContact CG1-CB 3.44Å; I165-L295 HydrophobicContact CG1-CD1 4.12Å; I165-L295 HydrophobicContact CG1-CG 4.43Å; I165-E296 HydrophobicContact CD1-CG 4.3Å; I165-K299 HydrophobicContact CD1-CD 3.6Å; I165-K299 HydrophobicContact CD1-CG 4.44Å
166	Y	96.2	Very high	93.5	Very high	54 Å²	54	25.4 Å²	25.4	21%	0.212	12%	0.116	C	C	.	.	H	α-helix	trans	-60.1	-47.8	178	170	-92.7	0	0	0	112	V108 N109 H110 D162 A163 L164 K169 K170	V108-Y166 HydrophobicContact CB-CE1 3.92Å; V108-Y166 HydrophobicContact CG1-CE1 4.12Å; N109-Y166 PolarHBondContact N-OH 3.22Å; N109-Y166 PolarHBondContact O-OH 2.9Å; H110-Y166 HydrophobicContact CB-CD1 3.79Å; H110-Y166 HydrophobicContact CB-CE1 3.97Å; H110-Y166 HydrophobicContact CB-CG 4.12Å; H110-Y166 AromaticContact CD2-CG 3.75Å; D162-Y166 PolarHBondContact O-N 2.91Å; D162-Y166 VanDerWaalsContact O-N 3.15Å; A163-Y166 WeakPolarHBondContact O-CB 3.22Å; A163-Y166 PolarHBondContact O-N 2.73Å; L164-Y166 VanDerWaalsContact C-N 3.29Å; L164-Y166 PolarHBondContact O-N 3.25Å; Y166-K169 PolarHBondContact O-N 2.83Å; Y166-K170 HydrophobicContact CE1-CD 3.92Å; Y166-K170 HydrophobicContact CE2-CD 4.29Å; Y166-K170 PolarHBondContact O-N 3.11Å; Y166-K170 WeakPolarHBondContact OH-CE 3.25Å
167	L	94.1	Very high	93.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-46.5	178.6	-69.4	172.2	0	0	0	111.4	V108 V113 A163 L164 K169 K170 G171 V172 I192 F195	V108-L167 HydrophobicContact CB-CD2 4.37Å; V108-L167 HydrophobicContact CG1-CD2 3.76Å; V113-L167 HydrophobicContact CG2-CD1 4.28Å; V113-L167 HydrophobicContact CG2-CD2 4.35Å; V113-L167 HydrophobicContact CG2-CG 4.33Å; A163-L167 VanDerWaalsContact O-CG 3.32Å; A163-L167 WeakPolarHBondContact O-CG 3.34Å; A163-L167 PolarHBondContact O-N 3.47Å; L164-L167 HydrophobicContact CD2-CD1 4.47Å; L164-L167 PolarHBondContact O-N 3.24Å; L167-K169 VanDerWaalsContact C-N 3.32Å; L167-K169 PolarHBondContact O-N 2.86Å; L167-K170 CarbonylContact O-C 3.56Å; L167-K170 WeakPolarHBondContact O-CA 3.25Å; L167-K170 WeakPolarHBondContact O-CB 3.46Å; L167-K170 PolarHBondContact O-N 3.25Å; L167-G171 PolarHBondContact O-N 2.8Å; L167-V172 CarbonylContact C-O 3.27Å; L167-V172 VanDerWaalsContact C-O 3.24Å; L167-V172 HydrophobicContact CB-CB 4.18Å; L167-V172 HydrophobicContact CB-CG1 4.39Å; L167-V172 HydrophobicContact CD2-CB 4.3Å; L167-V172 HydrophobicContact CD2-CG1 4.11Å; L167-V172 WeakPolarHBondContact O-CB 3.49Å; L167-V172 PolarHBondContact O-N 3.28Å; L167-I192 HydrophobicContact CD1-CD1 4.36Å; L167-F195 HydrophobicContact CD1-CE1 3.86Å; L167-F195 HydrophobicContact CD1-CZ 4.15Å; L167-F195 HydrophobicContact CD2-CE1 3.76Å; L167-F195 HydrophobicContact CD2-CZ 4.13Å; L167-F195 HydrophobicContact CG-CE1 4.48Å
168	H	92.4	Very high	92.9	Very high	27 Å²	27	26.4 Å²	26.4	13%	0.125	12%	0.12	C	C	.	.	H	α-helix	trans	-63.3	-38.1	-178.5	-71.1	-166.7	0	0	0	111.7	L164 I165 K170 G171 V172 F229 D232	L164-H168 VanDerWaalsContact O-CB 3.25Å; L164-H168 WeakPolarHBondContact O-CB 3.34Å; L164-H168 PolarHBondContact O-CD2 3.49Å; L164-H168 VanDerWaalsContact O-CD2 3.22Å; L164-H168 PolarHBondContact O-N 3.42Å; I165-H168 PolarHBondContact O-N 3.1Å; H168-K170 PolarHBondContact O-N 2.59Å; H168-G171 WeakPolarHBondContact O-CA 3.49Å; H168-G171 PolarHBondContact O-N 2.84Å; H168-V172 PolarHBondContact CD2-O 3.31Å; H168-V172 VanDerWaalsContact CD2-O 3.27Å; H168-V172 PolarHBondContact N-O 2.97Å; H168-F229 HydrophobicContact CB-CD1 3.76Å; H168-F229 HydrophobicContact CB-CE1 3.79Å; H168-F229 AromaticContact CD2-CD1 3.76Å; H168-F229 AromaticContact CE1-CD1 3.86Å; H168-F229 PolarHBondContact CE1-O 3.05Å; H168-F229 AromaticContact CG-CD1 3.4Å; H168-F229 AromaticContact CG-CE1 3.89Å; H168-F229 AromaticContact ND1-CD1 3.47Å; H168-F229 WeakPolarHBondContact ND1-CD1 3.36Å; H168-D232 IonicContact CD2-OD2 2.68Å; H168-D232 IonicContact CE1-OD2 3.5Å; H168-D232 IonicContact NE2-OD2 3.26Å; H168-D232 PolarHBondContact NE2-OD2 3.31Å
169	K	91	Very high	92.7	Very high	166 Å²	166	25.3 Å²	25.3	72%	0.722	12%	0.116	S	C	*	.	H	α-helix	trans	-62.4	-27.2	172.4	-78.1	177.9	178.7	-179.7	0	113.5	I165 Y166 L167	I165-K169 HydrophobicContact CG2-CD 4.11Å; I165-K169 WeakPolarHBondContact O-CB 2.97Å; I165-K169 VanDerWaalsContact O-CG 3.31Å; I165-K169 WeakPolarHBondContact O-CG 3.41Å; I165-K169 PolarHBondContact O-N 3.16Å; Y166-K169 PolarHBondContact O-N 2.83Å; L167-K169 VanDerWaalsContact C-N 3.32Å; L167-K169 PolarHBondContact O-N 2.86Å
170	K	89.3	Confident	92.4	Very high	97 Å²	97	28 Å²	28	42%	0.422	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	8.2	171.8	-75.2	-177.9	161.6	-112.1	0	113.1	H107 V108 Y166 L167 H168 V172	H107-K170 PolarHBondContact O-NZ 3.28Å; V108-K170 HydrophobicContact CG1-CD 4.3Å; Y166-K170 HydrophobicContact CE1-CD 3.92Å; Y166-K170 HydrophobicContact CE2-CD 4.29Å; Y166-K170 PolarHBondContact O-N 3.11Å; Y166-K170 WeakPolarHBondContact OH-CE 3.25Å; L167-K170 CarbonylContact O-C 3.56Å; L167-K170 WeakPolarHBondContact O-CA 3.25Å; L167-K170 WeakPolarHBondContact O-CB 3.46Å; L167-K170 PolarHBondContact O-N 3.25Å; H168-K170 PolarHBondContact O-N 2.59Å; K170-V172 HydrophobicContact CB-CG2 4.3Å; K170-V172 PolarHBondContact O-N 2.84Å
171	G	84.7	Confident	92.1	Very high	17 Å²	17	28.6 Å²	28.6	18%	0.175	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	13.2	-176.1	0	0	0	0	0	113.7	L167 H168 H200 A201	L167-G171 PolarHBondContact O-N 2.8Å; H168-G171 WeakPolarHBondContact O-CA 3.49Å; H168-G171 PolarHBondContact O-N 2.84Å; G171-H200 CarbonylContact O-C 3.59Å; G171-H200 VanDerWaalsContact O-CA 3.29Å; G171-H200 WeakPolarHBondContact O-CA 3.24Å; G171-A201 PolarHBondContact O-N 3.07Å
172	V	87.4	Confident	92.1	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.6	179.4	177.7	0	0	0	0	109.3	I104 L167 H168 K170 F195	I104-V172 HydrophobicContact CD1-CG1 4.37Å; I104-V172 HydrophobicContact CG2-CG1 3.83Å; I104-V172 HydrophobicContact CG2-CG2 3.99Å; L167-V172 CarbonylContact C-O 3.27Å; L167-V172 VanDerWaalsContact C-O 3.24Å; L167-V172 HydrophobicContact CB-CB 4.18Å; L167-V172 HydrophobicContact CB-CG1 4.39Å; L167-V172 HydrophobicContact CD2-CB 4.3Å; L167-V172 HydrophobicContact CD2-CG1 4.11Å; L167-V172 WeakPolarHBondContact O-CB 3.49Å; L167-V172 PolarHBondContact O-N 3.28Å; H168-V172 PolarHBondContact CD2-O 3.31Å; H168-V172 VanDerWaalsContact CD2-O 3.27Å; H168-V172 PolarHBondContact N-O 2.97Å; K170-V172 HydrophobicContact CB-CG2 4.3Å; K170-V172 PolarHBondContact O-N 2.84Å; V172-F195 HydrophobicContact CG1-CD1 4.21Å; V172-F195 HydrophobicContact CG1-CE1 4.26Å
173	I	87.2	Confident	92.1	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.9	172.2	-50.5	176	0	0	0	107.8	R175 S198 V199 A201 I228 F229 D232	I173-R175 HydrophobicContact CB-CG 4.27Å; I173-R175 HydrophobicContact CG2-CG 3.74Å; I173-S198 WeakPolarHBondContact O-CA 3.47Å; I173-S198 VanDerWaalsContact O-CB 3.3Å; I173-S198 WeakPolarHBondContact O-CB 3.44Å; I173-S198 PolarHBondContact O-OG 2.96Å; I173-V199 HydrophobicContact CB-CG2 4.24Å; I173-V199 PolarHBondContact N-O 3.13Å; I173-V199 VanDerWaalsContact N-O 3.16Å; I173-V199 PolarHBondContact O-N 3.37Å; I173-A201 HydrophobicContact CD1-CB 4.19Å; I173-I228 HydrophobicContact CD1-CB 3.59Å; I173-I228 HydrophobicContact CD1-CG2 3.85Å; I173-I228 HydrophobicContact CG2-CG2 4.22Å; I173-F229 HydrophobicContact CD1-CD1 3.77Å; I173-F229 HydrophobicContact CD1-CE1 3.88Å; I173-F229 HydrophobicContact CD1-CG 4.13Å; I173-F229 HydrophobicContact CD1-CZ 4.32Å; I173-F229 HydrophobicContact CG1-CD1 3.57Å; I173-F229 HydrophobicContact CG1-CE1 3.55Å; I173-F229 HydrophobicContact CG1-CG 4.4Å; I173-F229 HydrophobicContact CG1-CZ 4.37Å; I173-D232 WeakPolarHBondContact CG2-OD2 3.3Å
174	H	88.8	Confident	92.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.13	C	C	.	.			trans	-73.9	-49.7	-171.4	-169.9	-87.4	0	0	0	112.4	D176 I177 I192 A193 D194 F195 S198 D232	H174-D176 PolarHBondContact CE1-O 2.8Å; H174-D176 VanDerWaalsContact CE1-O 3.32Å; H174-D176 VanDerWaalsContact ND1-C 3.3Å; H174-D176 PolarHBondContact ND1-N 2.99Å; H174-D176 PolarHBondContact ND1-O 3.5Å; H174-D176 PolarHBondContact O-N 3.38Å; H174-D176 VanDerWaalsContact O-N 3.11Å; H174-I177 HydrophobicContact CB-CD1 3.7Å; H174-I177 HydrophobicContact CB-CG1 3.9Å; H174-I177 VanDerWaalsContact CG-CD1 3.44Å; H174-I177 WeakPolarHBondContact ND1-CD1 3.29Å; H174-I177 PolarHBondContact ND1-N 3.48Å; H174-I192 WeakPolarHBondContact CD2-CG2 3.39Å; H174-I192 WeakPolarHBondContact NE2-CG2 3.44Å; H174-A193 PolarHBondContact NE2-O 3.28Å; H174-D194 PolarHBondContact CE1-O 3.43Å; H174-D194 PolarHBondContact NE2-O 2.86Å; H174-F195 AromaticContact CD2-CD1 3.97Å; H174-F195 AromaticContact CD2-CE1 3.83Å; H174-S198 WeakPolarHBondContact CA-OG 3.45Å; H174-S198 PolarHBondContact O-OG 2.74Å; H174-D232 PolarHBondContact N-OD2 3.34Å
175	R	87	Confident	92.2	Very high	63 Å²	63	29.1 Å²	29.1	24%	0.238	13%	0.134	C	C	.	.			trans	68.6	-13.6	177.4	-52.9	-167.5	-63.3	168.5	4.3	117.6	I173 W197 V199 D232	I173-R175 HydrophobicContact CB-CG 4.27Å; I173-R175 HydrophobicContact CG2-CG 3.74Å; R175-W197 PolarHBondContact NE-O 2.94Å; R175-W197 PolarHBondContact NH2-O 3.19Å; R175-V199 VanDerWaalsContact NH2-CG1 3.34Å; R175-D232 PolarHBondContact N-OD1 3.4Å
176	D	87.5	Confident	92.2	Very high	11 Å²	11	35.7 Å²	35.7	6%	0.059	16%	0.159	C	C	.	.			trans	-126.8	46.3	176.6	-163.4	25.8	0	0	0	111.5	H174 K178 N181 W197	H174-D176 PolarHBondContact CE1-O 2.8Å; H174-D176 VanDerWaalsContact CE1-O 3.32Å; H174-D176 VanDerWaalsContact ND1-C 3.3Å; H174-D176 PolarHBondContact ND1-N 2.99Å; H174-D176 PolarHBondContact ND1-O 3.5Å; H174-D176 PolarHBondContact O-N 3.38Å; H174-D176 VanDerWaalsContact O-N 3.11Å; D176-K178 PolarHBondContact O-N 2.85Å; D176-K178 IonicContact OD1-NZ 3.11Å; D176-K178 PolarHBondContact OD1-NZ 3.31Å; D176-K178 IonicContact OD2-NZ 2.96Å; D176-K178 PolarHBondContact OD2-NZ 3.3Å; D176-N181 PolarHBondContact O-ND2 3.31Å; D176-N181 PolarHBondContact OD2-ND2 2.79Å; D176-W197 HydrophobicContact CB-CB 4.23Å; D176-W197 HydrophobicContact CB-CG 4.42Å
177	I	93	Very high	92.1	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.015	18%	0.18	C	C	.	.			trans	-73.2	114.2	176.7	-64.5	-66.9	0	0	0	108.9	M160 L164 H174 I182 I192 Y215 A235 L239	M160-I177 HydrophobicContact CE-CD1 3.84Å; M160-I177 HydrophobicContact CE-CG2 3.85Å; L164-I177 HydrophobicContact CD2-CD1 4.15Å; L164-I177 HydrophobicContact CD2-CG1 4.47Å; H174-I177 HydrophobicContact CB-CD1 3.7Å; H174-I177 HydrophobicContact CB-CG1 3.9Å; H174-I177 VanDerWaalsContact CG-CD1 3.44Å; H174-I177 WeakPolarHBondContact ND1-CD1 3.29Å; H174-I177 PolarHBondContact ND1-N 3.48Å; I177-I182 HydrophobicContact CG2-CD1 4.46Å; I177-I192 HydrophobicContact CD1-CD1 4.23Å; I177-I192 HydrophobicContact CD1-CG2 4.18Å; I177-Y215 VanDerWaalsContact O-CD1 3.24Å; I177-Y215 WeakPolarHBondContact O-CD1 3.5Å; I177-A235 HydrophobicContact CB-CB 3.76Å; I177-A235 HydrophobicContact CG2-CB 3.99Å; I177-L239 HydrophobicContact CG2-CD1 3.36Å; I177-L239 HydrophobicContact CG2-CG 4.33Å
178	K	92.2	Very high	92.2	Very high	24 Å²	24	40.5 Å²	40.5	10%	0.104	19%	0.188	C	C	.	.	S	Bend	trans	-160.7	161.4	177.4	62.7	-175.1	179.4	-137.3	0	110.4	D176 E180 N181 I182 Y215	D176-K178 PolarHBondContact O-N 2.85Å; D176-K178 IonicContact OD1-NZ 3.11Å; D176-K178 PolarHBondContact OD1-NZ 3.31Å; D176-K178 IonicContact OD2-NZ 2.96Å; D176-K178 PolarHBondContact OD2-NZ 3.3Å; K178-E180 WeakPolarHBondContact CB-OE2 3.42Å; K178-E180 WeakPolarHBondContact CD-OE2 3.47Å; K178-E180 HydrophobicContact CG-CB 4.43Å; K178-E180 VanDerWaalsContact CG-OE2 3.25Å; K178-E180 WeakPolarHBondContact CG-OE2 3.18Å; K178-E180 PolarHBondContact O-N 3.06Å; K178-E180 VanDerWaalsContact O-N 3.13Å; K178-N181 WeakPolarHBondContact CE-ND2 3.25Å; K178-N181 HydrophobicContact CG-CB 4.21Å; K178-N181 PolarHBondContact O-N 3.22Å; K178-I182 WeakPolarHBondContact O-CG1 3.38Å; K178-I182 PolarHBondContact O-N 3.21Å; K178-Y215 HydrophobicContact CB-CD1 4.18Å; K178-Y215 HydrophobicContact CB-CD2 3.99Å; K178-Y215 HydrophobicContact CB-CE1 4.1Å; K178-Y215 HydrophobicContact CB-CE2 3.93Å; K178-Y215 HydrophobicContact CB-CG 4.13Å
179	P	94.3	Very high	92.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28	-175.5	-25.7	34.1	0	0	0	115	L138 F139 L142 N181 I182 Y215 L239 E242	L138-P179 HydrophobicContact CG-CB 4.43Å; L138-P179 PolarHBondContact N-O 3.44Å; F139-P179 HydrophobicContact CB-CB 3.83Å; F139-P179 HydrophobicContact CD2-CB 4.27Å; F139-P179 PolarHBondContact N-O 3.31Å; L142-P179 HydrophobicContact CD1-CB 3.84Å; L142-P179 HydrophobicContact CD1-CG 3.67Å; P179-N181 VanDerWaalsContact C-N 3.33Å; P179-I182 PolarHBondContact O-N 3.42Å; P179-Y215 VanDerWaalsContact CD-CZ 3.46Å; P179-Y215 WeakPolarHBondContact CD-OH 3.38Å; P179-Y215 WeakPolarHBondContact CG-OH 3.29Å; P179-L239 HydrophobicContact CG-CD2 3.78Å; P179-E242 WeakPolarHBondContact CG-OE2 3.34Å
180	E	91.9	Very high	92.8	Very high	65 Å²	65	33.2 Å²	33.2	30%	0.304	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-71.6	-27.7	178	-57.5	92.5	144.2	0	0	112.6	F139 K178	F139-E180 HydrophobicContact CB-CG 4.01Å; F139-E180 HydrophobicContact CD2-CG 4.07Å; F139-E180 HydrophobicContact CG-CG 3.97Å; K178-E180 WeakPolarHBondContact CB-OE2 3.42Å; K178-E180 WeakPolarHBondContact CD-OE2 3.47Å; K178-E180 HydrophobicContact CG-CB 4.43Å; K178-E180 VanDerWaalsContact CG-OE2 3.25Å; K178-E180 WeakPolarHBondContact CG-OE2 3.18Å; K178-E180 PolarHBondContact O-N 3.06Å; K178-E180 VanDerWaalsContact O-N 3.13Å
181	N	93.3	Very high	93.3	Very high	13 Å²	13	29.3 Å²	29.3	7%	0.07	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-97.5	9.5	-180	-69.2	-6.5	0	0	0	112.5	D176 K178 P179 A193 D194	D176-N181 PolarHBondContact O-ND2 3.31Å; D176-N181 PolarHBondContact OD2-ND2 2.79Å; K178-N181 WeakPolarHBondContact CE-ND2 3.25Å; K178-N181 HydrophobicContact CG-CB 4.21Å; K178-N181 PolarHBondContact O-N 3.22Å; P179-N181 VanDerWaalsContact C-N 3.33Å; N181-A193 PolarHBondContact O-N 3.5Å; N181-D194 HydrophobicContact CB-CB 4.3Å
182	I	97.2	Very high	93.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.1	177.3	-60.7	164.2	0	0	0	107.3	L138 M160 I177 K178 P179 L190 L239	L138-I182 HydrophobicContact CB-CB 4.12Å; L138-I182 HydrophobicContact CB-CG2 4.15Å; L138-I182 WeakPolarHBondContact CB-O 3.37Å; L138-I182 HydrophobicContact CD2-CB 4.11Å; L138-I182 HydrophobicContact CD2-CD1 4.19Å; L138-I182 HydrophobicContact CD2-CG2 3.88Å; L138-I182 PolarHBondContact N-O 3.12Å; M160-I182 HydrophobicContact CE-CD1 3.61Å; M160-I182 HydrophobicContact CE-CG1 4.11Å; M160-I182 HydrophobicContact SD-CD1 3.9Å; M160-I182 HydrophobicContact SD-CG1 4.23Å; M160-I182 HydrophobicContact SD-CG2 4.37Å; I177-I182 HydrophobicContact CG2-CD1 4.46Å; K178-I182 WeakPolarHBondContact O-CG1 3.38Å; K178-I182 PolarHBondContact O-N 3.21Å; P179-I182 PolarHBondContact O-N 3.42Å; I182-L190 HydrophobicContact CG2-CB 3.97Å; I182-L190 HydrophobicContact CG2-CD1 4.05Å; I182-L190 HydrophobicContact CG2-CD2 3.89Å; I182-L190 HydrophobicContact CG2-CG 4.18Å; I182-L239 HydrophobicContact CD1-CD1 3.66Å; I182-L239 HydrophobicContact CD1-CD2 4.3Å
183	L	97.5	Very high	94.1	Very high	35 Å²	35	28.9 Å²	28.9	18%	0.183	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	166.5	176.5	-52.2	-178.6	0	0	0	111.1	L114 A133 G136 E137 L190 K191 A193	L114-L183 HydrophobicContact CD1-CD1 4Å; L114-L183 HydrophobicContact CD2-CD1 3.85Å; A133-L183 HydrophobicContact CB-CB 3.44Å; A133-L183 VanDerWaalsContact CB-CB 3.44Å; A133-L183 HydrophobicContact CB-CD1 3.89Å; A133-L183 HydrophobicContact CB-CG 4.3Å; G136-L183 CarbonylContact O-C 3.52Å; G136-L183 WeakPolarHBondContact O-CA 3.4Å; E137-L183 HydrophobicContact CB-CD2 4.26Å; E137-L183 HydrophobicContact CG-CD2 3.7Å; L183-L190 CarbonylContact O-C 3.42Å; L183-L190 WeakPolarHBondContact O-CA 3.48Å; L183-K191 HydrophobicContact CB-CB 4.28Å; L183-K191 PolarHBondContact N-O 3.04Å; L183-K191 PolarHBondContact O-N 2.96Å; L183-A193 HydrophobicContact CD1-CB 4.32Å; L183-A193 HydrophobicContact CG-CB 4.25Å
184	I	98.2	Very high	94	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.4	-179.5	-53.9	171.2	0	0	0	109.3	A133 F134 H135 G136 L138 Q141 N189 L190	A133-I184 CarbonylContact C-O 3.51Å; A133-I184 VanDerWaalsContact C-O 3.27Å; A133-I184 WeakPolarHBondContact CB-O 3.28Å; F134-I184 PolarHBondContact N-O 2.75Å; H135-I184 HydrophobicContact CB-CB 3.8Å; H135-I184 HydrophobicContact CB-CG2 3.86Å; H135-I184 PolarHBondContact N-O 3.11Å; G136-I184 PolarHBondContact O-N 2.98Å; L138-I184 HydrophobicContact CB-CD1 4.27Å; L138-I184 HydrophobicContact CB-CG1 4.34Å; L138-I184 HydrophobicContact CD1-CD1 3.85Å; L138-I184 HydrophobicContact CD1-CG1 4.46Å; Q141-I184 HydrophobicContact CB-CD1 4.2Å; I184-N189 WeakPolarHBondContact CA-O 3.32Å; I184-L190 HydrophobicContact CG1-CD2 3.88Å
185	D	96.9	Very high	93.6	Very high	15 Å²	15	31.2 Å²	31.2	8%	0.08	15%	0.148	C	C	.	.			trans	-72.2	175.6	177.4	77	11.7	0	0	0	112.6	H135 H187 G188 N189 K191	H135-D185 PolarHBondContact CD2-O 3.26Å; D185-H187 PolarHBondContact O-N 3.18Å; D185-H187 VanDerWaalsContact O-N 3.16Å; D185-H187 WeakPolarHBondContact OD1-CA 3.43Å; D185-H187 PolarHBondContact OD1-N 2.94Å; D185-G188 PolarHBondContact O-N 3.48Å; D185-G188 PolarHBondContact OD1-N 3.14Å; D185-N189 PolarHBondContact N-O 2.83Å; D185-N189 PolarHBondContact OD1-N 2.91Å; D185-N189 WeakPolarHBondContact OD2-CB 3.37Å; D185-N189 PolarHBondContact OD2-ND2 3.22Å; D185-K191 HydrophobicContact CB-CG 4.31Å
186	Y	95.6	Very high	92.6	Very high	154 Å²	154	28.5 Å²	28.5	60%	0.604	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.4	179.6	178.8	-103.6	0	0	0	114.1	F134 H135 G188	F134-Y186 HydrophobicContact CB-CD2 4.29Å; F134-Y186 HydrophobicContact CD1-CD2 4.11Å; F134-Y186 HydrophobicContact CD2-CD2 4.12Å; F134-Y186 AromaticContact CG-CD2 3.92Å; F134-Y186 HydrophobicContact CG-CD2 3.92Å; H135-Y186 PolarHBondContact NE2-O 3.35Å; Y186-G188 VanDerWaalsContact C-N 3.28Å; Y186-G188 PolarHBondContact O-N 2.88Å
187	H	95.6	Very high	91.9	Very high	140 Å²	140	31.2 Å²	31.2	65%	0.648	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	7.9	-178.3	-58.3	-72.9	0	0	0	113	D185 N189	D185-H187 PolarHBondContact O-N 3.18Å; D185-H187 VanDerWaalsContact O-N 3.16Å; D185-H187 WeakPolarHBondContact OD1-CA 3.43Å; D185-H187 PolarHBondContact OD1-N 2.94Å; H187-N189 WeakPolarHBondContact CB-ND2 3.18Å
188	G	96	Very high	90.4	Very high	16 Å²	16	31 Å²	31	17%	0.165	15%	0.148	C	C	.	.	S	Bend	trans	70.6	31.5	-179.1	0	0	0	0	0	112.8	K155 D185 Y186	K155-G188 PolarHBondContact NZ-O 3.41Å; D185-G188 PolarHBondContact O-N 3.48Å; D185-G188 PolarHBondContact OD1-N 3.14Å; Y186-G188 VanDerWaalsContact C-N 3.28Å; Y186-G188 PolarHBondContact O-N 2.88Å
189	N	97.7	Very high	89.2	Confident	40 Å²	40	30.3 Å²	30.3	21%	0.214	15%	0.146	C	C	.	.			trans	-102.9	146.3	172.1	-51.3	-55.6	0	0	0	110.7	K155 Q159 I184 D185 H187	K155-N189 WeakPolarHBondContact CE-OD1 3.28Å; K155-N189 PolarHBondContact NZ-OD1 3.32Å; Q159-N189 PolarHBondContact NE2-OD1 2.89Å; I184-N189 WeakPolarHBondContact CA-O 3.32Å; D185-N189 PolarHBondContact N-O 2.83Å; D185-N189 PolarHBondContact OD1-N 2.91Å; D185-N189 WeakPolarHBondContact OD2-CB 3.37Å; D185-N189 PolarHBondContact OD2-ND2 3.22Å; H187-N189 WeakPolarHBondContact CB-ND2 3.18Å
190	L	98.4	Very high	87.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	147.8	-179.8	-60.5	-170.1	0	0	0	112.1	N112 L138 Y156 M160 I182 L183 I184	N112-L190 WeakPolarHBondContact CA-O 3.49Å; N112-L190 WeakPolarHBondContact CB-O 3.12Å; N112-L190 PolarHBondContact ND2-O 3.17Å; L138-L190 HydrophobicContact CD1-CD2 4.31Å; L138-L190 HydrophobicContact CD2-CD1 4.47Å; L138-L190 HydrophobicContact CD2-CD2 4.24Å; Y156-L190 HydrophobicContact CD1-CD1 3.99Å; Y156-L190 HydrophobicContact CD1-CD2 3.84Å; Y156-L190 HydrophobicContact CD1-CG 3.66Å; Y156-L190 HydrophobicContact CD2-CD1 4.12Å; Y156-L190 HydrophobicContact CD2-CD2 3.95Å; Y156-L190 HydrophobicContact CD2-CG 4.32Å; Y156-L190 HydrophobicContact CE1-CD2 3.81Å; Y156-L190 HydrophobicContact CE1-CG 4.08Å; Y156-L190 HydrophobicContact CE2-CD2 3.92Å; Y156-L190 HydrophobicContact CG-CD1 3.62Å; Y156-L190 HydrophobicContact CG-CD2 3.92Å; Y156-L190 HydrophobicContact CG-CG 3.8Å; M160-L190 HydrophobicContact CG-CD1 3.72Å; M160-L190 HydrophobicContact SD-CD1 3.96Å; I182-L190 HydrophobicContact CG2-CB 3.97Å; I182-L190 HydrophobicContact CG2-CD1 4.05Å; I182-L190 HydrophobicContact CG2-CD2 3.89Å; I182-L190 HydrophobicContact CG2-CG 4.18Å; L183-L190 CarbonylContact O-C 3.42Å; L183-L190 WeakPolarHBondContact O-CA 3.48Å; I184-L190 HydrophobicContact CG1-CD2 3.88Å
191	K	98.2	Very high	85.4	Confident	14 Å²	14	32.7 Å²	32.7	6%	0.061	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	108.9	174.6	-62.1	-71	-175.6	161.1	0	108.7	P111 L114 E131 L183 D185 A193	P111-K191 VanDerWaalsContact O-CD 3.26Å; P111-K191 WeakPolarHBondContact O-CD 3.3Å; P111-K191 WeakPolarHBondContact O-CE 3.44Å; P111-K191 PolarHBondContact O-NZ 2.92Å; L114-K191 HydrophobicContact CB-CB 4.19Å; L114-K191 HydrophobicContact CD1-CB 3.95Å; L114-K191 HydrophobicContact CD1-CG 4.28Å; E131-K191 VanDerWaalsContact CD-CE 3.5Å; E131-K191 WeakPolarHBondContact OE1-CE 3.41Å; E131-K191 IonicContact OE1-NZ 2.67Å; E131-K191 PolarHBondContact OE1-NZ 3.32Å; E131-K191 WeakPolarHBondContact OE2-CE 3.24Å; E131-K191 IonicContact OE2-NZ 2.63Å; E131-K191 PolarHBondContact OE2-NZ 2.76Å; L183-K191 HydrophobicContact CB-CB 4.28Å; L183-K191 PolarHBondContact N-O 3.04Å; L183-K191 PolarHBondContact O-N 2.96Å; D185-K191 HydrophobicContact CB-CG 4.31Å; K191-A193 PolarHBondContact O-N 3.47Å
192	I	97.6	Very high	83	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	129	172.2	-60	179.7	0	0	0	108.9	N112 L114 M160 A163 L164 L167 H174 I177 F195	N112-I192 PolarHBondContact O-N 3.33Å; L114-I192 WeakPolarHBondContact CB-O 3.34Å; L114-I192 PolarHBondContact N-O 2.9Å; M160-I192 HydrophobicContact CE-CD1 3.64Å; M160-I192 HydrophobicContact CE-CG1 3.74Å; M160-I192 HydrophobicContact SD-CD1 3.93Å; M160-I192 HydrophobicContact SD-CG1 3.66Å; A163-I192 HydrophobicContact CB-CD1 3.6Å; A163-I192 HydrophobicContact CB-CG1 4.37Å; L164-I192 HydrophobicContact CD2-CD1 4.27Å; L164-I192 HydrophobicContact CG-CD1 4.36Å; L167-I192 HydrophobicContact CD1-CD1 4.36Å; H174-I192 WeakPolarHBondContact CD2-CG2 3.39Å; H174-I192 WeakPolarHBondContact NE2-CG2 3.44Å; I177-I192 HydrophobicContact CD1-CD1 4.23Å; I177-I192 HydrophobicContact CD1-CG2 4.18Å; I192-F195 HydrophobicContact CG2-CZ 4.12Å
193	A	92.4	Very high	80.1	Confident	10 Å²	10	43 Å²	43	8%	0.083	23%	0.234	C	C	.	.			trans	-129.5	172.9	179.2	0	0	0	0	0	110.6	L114 H174 N181 L183 K191	L114-A193 HydrophobicContact CB-CB 4.13Å; L114-A193 HydrophobicContact CD2-CB 3.88Å; H174-A193 PolarHBondContact NE2-O 3.28Å; N181-A193 PolarHBondContact O-N 3.5Å; L183-A193 HydrophobicContact CD1-CB 4.32Å; L183-A193 HydrophobicContact CG-CB 4.25Å; K191-A193 PolarHBondContact O-N 3.47Å
194	D	83.8	Confident	77.2	Confident	51 Å²	51	43.7 Å²	43.7	27%	0.273	24%	0.241	S	C	.	.			trans	63.4	73.3	176.6	-157.8	-9	0	0	0	115.6	H174 N181 G196	H174-D194 PolarHBondContact CE1-O 3.43Å; H174-D194 PolarHBondContact NE2-O 2.86Å; N181-D194 HydrophobicContact CB-CB 4.3Å; D194-G196 PolarHBondContact O-N 3.4Å; D194-G196 PolarHBondContact OD1-N 3.19Å
195	F	80.5	Confident	74.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-82.3	11.8	175.9	-67.8	-94.5	0	0	0	113.5	E101 I104 Q105 V113 L167 V172 H174 I192 W197 S198	E101-F195 HydrophobicContact CG-CB 4.35Å; I104-F195 HydrophobicContact CG2-CB 4.33Å; I104-F195 HydrophobicContact CG2-CD1 3.64Å; I104-F195 HydrophobicContact CG2-CE1 4.22Å; I104-F195 HydrophobicContact CG2-CG 4.08Å; Q105-F195 HydrophobicContact CB-CD2 4.42Å; Q105-F195 HydrophobicContact CG-CD2 4.17Å; Q105-F195 HydrophobicContact CG-CE2 4.35Å; V113-F195 HydrophobicContact CG1-CE2 3.79Å; V113-F195 HydrophobicContact CG1-CZ 3.56Å; L167-F195 HydrophobicContact CD1-CE1 3.86Å; L167-F195 HydrophobicContact CD1-CZ 4.15Å; L167-F195 HydrophobicContact CD2-CE1 3.76Å; L167-F195 HydrophobicContact CD2-CZ 4.13Å; L167-F195 HydrophobicContact CG-CE1 4.48Å; V172-F195 HydrophobicContact CG1-CD1 4.21Å; V172-F195 HydrophobicContact CG1-CE1 4.26Å; H174-F195 AromaticContact CD2-CD1 3.97Å; H174-F195 AromaticContact CD2-CE1 3.83Å; I192-F195 HydrophobicContact CG2-CZ 4.12Å; F195-W197 PolarHBondContact O-N 2.81Å; F195-W197 VanDerWaalsContact O-N 3.07Å; F195-S198 WeakPolarHBondContact CA-OG 3.22Å; F195-S198 VanDerWaalsContact CD1-OG 3.28Å; F195-S198 WeakPolarHBondContact CD1-OG 3.35Å; F195-S198 WeakPolarHBondContact O-CB 3.5Å; F195-S198 PolarHBondContact O-N 2.87Å; F195-S198 PolarHBondContact O-OG 3.41Å
196	G	67.5	Low	71.4	Confident	6 Å²	6	56.1 Å²	56.1	6%	0.062	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-59.6	-24.9	-176.3	0	0	0	0	0	113.7	Q97 D194	Q97-G196 WeakPolarHBondContact CB-O 3.36Å; Q97-G196 WeakPolarHBondContact CG-O 3.4Å; D194-G196 PolarHBondContact O-N 3.4Å; D194-G196 PolarHBondContact OD1-N 3.19Å
197	W	72.8	Confident	68.5	Low	67 Å²	67	52.3 Å²	52.3	25%	0.254	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-102.4	4	175.5	-61.6	106.5	0	0	0	113.9	R175 D176 F195 T208 C210	R175-W197 PolarHBondContact NE-O 2.94Å; R175-W197 PolarHBondContact NH2-O 3.19Å; D176-W197 HydrophobicContact CB-CB 4.23Å; D176-W197 HydrophobicContact CB-CG 4.42Å; F195-W197 PolarHBondContact O-N 2.81Å; F195-W197 VanDerWaalsContact O-N 3.07Å; W197-T208 HydrophobicContact CH2-CG2 4.36Å; W197-T208 HydrophobicContact CZ3-CG2 4.2Å; W197-C210 HydrophobicContact CD2-CB 4.35Å; W197-C210 HydrophobicContact CE3-CB 4.17Å; W197-C210 HydrophobicContact CH2-CB 3.48Å; W197-C210 VanDerWaalsContact CH2-CB 3.48Å; W197-C210 WeakPolarHBondContact CH2-SG 3.17Å; W197-C210 HydrophobicContact CZ2-CB 3.67Å; W197-C210 HydrophobicContact CZ3-CB 3.74Å
198	S	61.9	Low	65.6	Low	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.3	C	S	.	.			trans	-70.8	162.9	179.9	-61.7	0	0	0	0	112.1	R100 I173 H174 F195	R100-S198 WeakPolarHBondContact CD-O 3.16Å; R100-S198 PolarHBondContact NH1-O 3.23Å; I173-S198 WeakPolarHBondContact O-CA 3.47Å; I173-S198 VanDerWaalsContact O-CB 3.3Å; I173-S198 WeakPolarHBondContact O-CB 3.44Å; I173-S198 PolarHBondContact O-OG 2.96Å; H174-S198 WeakPolarHBondContact CA-OG 3.45Å; H174-S198 PolarHBondContact O-OG 2.74Å; F195-S198 WeakPolarHBondContact CA-OG 3.22Å; F195-S198 VanDerWaalsContact CD1-OG 3.28Å; F195-S198 WeakPolarHBondContact CD1-OG 3.35Å; F195-S198 WeakPolarHBondContact O-CB 3.5Å; F195-S198 PolarHBondContact O-N 2.87Å; F195-S198 PolarHBondContact O-OG 3.41Å
199	V	65.5	Low	62.6	Low	8 Å²	8	54.7 Å²	54.7	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.4	174.5	-78.9	0	0	0	0	110.3	R100 I173 R175	R100-V199 VanDerWaalsContact NH1-CG1 3.3Å; I173-V199 HydrophobicContact CB-CG2 4.24Å; I173-V199 PolarHBondContact N-O 3.13Å; I173-V199 VanDerWaalsContact N-O 3.16Å; I173-V199 PolarHBondContact O-N 3.37Å; R175-V199 VanDerWaalsContact NH2-CG1 3.34Å
200	H	58.5	Low	59.8	Low	76 Å²	76	55.2 Å²	55.2	35%	0.352	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.6	158.4	-73.5	-66.5	0	0	0	108.8	G171	G171-H200 CarbonylContact O-C 3.59Å; G171-H200 VanDerWaalsContact O-CA 3.29Å; G171-H200 WeakPolarHBondContact O-CA 3.24Å
201	A	49.1	Very low	57.5	Low	39 Å²	39	57.3 Å²	57.3	32%	0.322	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	139.7	174.1	0	0	0	0	0	110.5	G171 I173 F229	G171-A201 PolarHBondContact O-N 3.07Å; I173-A201 HydrophobicContact CD1-CB 4.19Å; A201-F229 HydrophobicContact CB-CE2 4.41Å; A201-F229 HydrophobicContact CB-CZ 3.99Å
202	P	43.1	Very low	55.6	Low	136 Å²	136	59 Å²	59	88%	0.883	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	cis	-114	27.7	-4.6	36	-19.8	0	0	0	114.1
203	S	34.9	Very low	53.8	Low	95 Å²	95	61.5 Å²	61.5	66%	0.664	37%	0.374	S	S	*	.	S	Bend	trans	-107.7	78.8	179	49.3	0	0	0	0	111.8
204	S	37.9	Very low	52.7	Low	48 Å²	48	62.3 Å²	62.3	34%	0.336	38%	0.377	S	S	.	.			trans	159.7	89.2	147.2	48.4	0	0	0	0	112.2	R100	R100-S204 PolarHBondContact NH2-OG 3.46Å
205	M	38.1	Very low	52.5	Low	127 Å²	127	60.9 Å²	60.9	63%	0.626	37%	0.368	S	S	*	.			trans	-89.2	98.1	169.9	-155.2	-160.9	101.1	0	0	108.9	K225	M205-K225 HydrophobicContact SD-CB 4.48Å; M205-K225 HydrophobicContact SD-CD 4.1Å; M205-K225 HydrophobicContact SD-CG 3.88Å
206	H	34.8	Very low	52	Low	151 Å²	151	61.7 Å²	61.7	70%	0.699	37%	0.373	S	S	*	.			trans	-113.7	115.3	160.6	-69.7	83.2	0	0	0	107.6	T208	H206-T208 PolarHBondContact O-N 2.81Å
207	G	34.9	Very low	51.8	Low	75 Å²	75	61.5 Å²	61.5	77%	0.773	37%	0.37	S	S	*	.			trans	-72.3	80.3	-170.2	0	0	0	0	0	113.7
208	T	35	Very low	51.5	Low	80 Å²	80	58.5 Å²	58.5	49%	0.491	36%	0.359	S	S	.	.			trans	-103.5	105.2	168.6	-32.2	0	0	0	0	108.9	W197 H206 C210	W197-T208 HydrophobicContact CH2-CG2 4.36Å; W197-T208 HydrophobicContact CZ3-CG2 4.2Å; H206-T208 PolarHBondContact O-N 2.81Å; T208-C210 HydrophobicContact CG2-CB 4.44Å; T208-C210 WeakPolarHBondContact CG2-SG 3.44Å; T208-C210 PolarHBondContact O-N 3.06Å; T208-C210 VanDerWaalsContact O-N 3.14Å
209	M	32.5	Very low	51.8	Low	126 Å²	126	59.4 Å²	59.4	62%	0.621	36%	0.363	S	S	*	.			trans	-64.4	107.1	161.8	-94.4	-165.9	-87.1	0	0	107.2
210	C	38.8	Very low	51.5	Low	50 Å²	50	61.2 Å²	61.2	34%	0.338	37%	0.372	S	S	.	.			trans	-149.8	130.3	-179.4	-82.9	0	0	0	0	108.9	W197 T208	W197-C210 HydrophobicContact CD2-CB 4.35Å; W197-C210 HydrophobicContact CE3-CB 4.17Å; W197-C210 HydrophobicContact CH2-CB 3.48Å; W197-C210 VanDerWaalsContact CH2-CB 3.48Å; W197-C210 WeakPolarHBondContact CH2-SG 3.17Å; W197-C210 HydrophobicContact CZ2-CB 3.67Å; W197-C210 HydrophobicContact CZ3-CB 3.74Å; T208-C210 HydrophobicContact CG2-CB 4.44Å; T208-C210 WeakPolarHBondContact CG2-SG 3.44Å; T208-C210 PolarHBondContact O-N 3.06Å; T208-C210 VanDerWaalsContact O-N 3.14Å
211	G	49	Very low	51.5	Low	44 Å²	44	58.4 Å²	58.4	45%	0.454	36%	0.36	S	S	.	.	S	Bend	trans	149.7	162.5	179.7	0	0	0	0	0	112.1	L213	G211-L213 PolarHBondContact O-N 3.47Å
212	T	58.3	Low	51.9	Low	51 Å²	51	62.7 Å²	62.7	31%	0.313	37%	0.368	S	S	.	.			trans	-67.7	122.3	165.9	-56.8	0	0	0	0	107.4	D214 Y215	T212-D214 HydrophobicContact CG2-CB 4.37Å; T212-D214 VanDerWaalsContact CG2-OD2 3.29Å; T212-D214 WeakPolarHBondContact CG2-OD2 3.48Å; T212-D214 PolarHBondContact O-N 3.22Å; T212-Y215 HydrophobicContact CG2-CD2 4.38Å; T212-Y215 PolarHBondContact O-N 3.41Å
213	L	61.1	Low	52.4	Low	51 Å²	51	62.5 Å²	62.5	27%	0.267	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-54.7	-32	-170.4	-71.8	172.7	0	0	0	112.6	G211 Y215 L216 Q255 T258 I262	G211-L213 PolarHBondContact O-N 3.47Å; L213-Y215 PolarHBondContact O-N 3.3Å; L213-Y215 VanDerWaalsContact O-N 3.09Å; L213-L216 WeakPolarHBondContact O-CB 2.99Å; L213-L216 PolarHBondContact O-N 3.05Å; L213-L216 VanDerWaalsContact O-N 3.1Å; L213-Q255 HydrophobicContact CD1-CB 3.77Å; L213-Q255 HydrophobicContact CD1-CG 4.01Å; L213-T258 HydrophobicContact CB-CG2 4.34Å; L213-I262 WeakPolarHBondContact O-CD1 3.38Å
214	D	69.7	Low	53	Low	27 Å²	27	64 Å²	64	14%	0.144	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-59.5	-22.5	-175	-54.3	-75.1	0	0	0	114.8	T212 A248 T258	T212-D214 HydrophobicContact CG2-CB 4.37Å; T212-D214 VanDerWaalsContact CG2-OD2 3.29Å; T212-D214 WeakPolarHBondContact CG2-OD2 3.48Å; T212-D214 PolarHBondContact O-N 3.22Å; D214-A248 HydrophobicContact CB-CB 3.89Å; D214-T258 WeakPolarHBondContact OD1-CG2 3.49Å
215	Y	78	Confident	53.5	Low	21 Å²	21	69 Å²	69	8%	0.082	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-103.7	-7.7	-178.6	-64.5	-93.8	0	0	0	113.5	I177 K178 P179 T212 L213 V238 L239 E242	I177-Y215 VanDerWaalsContact O-CD1 3.24Å; I177-Y215 WeakPolarHBondContact O-CD1 3.5Å; K178-Y215 HydrophobicContact CB-CD1 4.18Å; K178-Y215 HydrophobicContact CB-CD2 3.99Å; K178-Y215 HydrophobicContact CB-CE1 4.1Å; K178-Y215 HydrophobicContact CB-CE2 3.93Å; K178-Y215 HydrophobicContact CB-CG 4.13Å; P179-Y215 VanDerWaalsContact CD-CZ 3.46Å; P179-Y215 WeakPolarHBondContact CD-OH 3.38Å; P179-Y215 WeakPolarHBondContact CG-OH 3.29Å; T212-Y215 HydrophobicContact CG2-CD2 4.38Å; T212-Y215 PolarHBondContact O-N 3.41Å; L213-Y215 PolarHBondContact O-N 3.3Å; L213-Y215 VanDerWaalsContact O-N 3.09Å; Y215-V238 HydrophobicContact CD1-CB 4.19Å; Y215-V238 HydrophobicContact CD1-CG1 3.55Å; Y215-V238 HydrophobicContact CE1-CB 4.41Å; Y215-V238 HydrophobicContact CE1-CG1 3.52Å; Y215-V238 HydrophobicContact CG-CG1 4.22Å; Y215-L239 HydrophobicContact CE1-CD2 3.99Å; Y215-L239 HydrophobicContact CE1-CG 4.2Å; Y215-E242 VanDerWaalsContact OH-CD 3.29Å; Y215-E242 PolarHBondContact OH-OE1 3.21Å; Y215-E242 PolarHBondContact OH-OE2 3.26Å
216	L	71.4	Confident	53.8	Low	18 Å²	18	69 Å²	69	9%	0.094	37%	0.369	C	S	.	.			trans	-74.8	126.3	-172.2	-163.4	78	0	0	0	110.2	L213 M220 V221 I262	L213-L216 WeakPolarHBondContact O-CB 2.99Å; L213-L216 PolarHBondContact O-N 3.05Å; L213-L216 VanDerWaalsContact O-N 3.1Å; L216-M220 HydrophobicContact CD1-CB 3.97Å; L216-M220 HydrophobicContact CD1-CE 3.68Å; L216-M220 HydrophobicContact CD1-SD 3.91Å; L216-M220 HydrophobicContact CG-CB 4.1Å; L216-V221 HydrophobicContact CD2-CG2 3.39Å; L216-V221 HydrophobicContact CG-CG2 4.19Å; L216-I262 WeakPolarHBondContact O-CG2 3.39Å
217	P	62.9	Low	54.7	Low	2 Å²	2	69.7 Å²	69.7	1%	0.013	37%	0.37	C	S	.	.			trans	-78.1	154.2	175.5	33.4	-36.7	0	0	0	111.7	E219 M220 V221 V231 W234	P217-E219 VanDerWaalsContact C-N 3.28Å; P217-E219 WeakPolarHBondContact CB-OE1 3.11Å; P217-E219 WeakPolarHBondContact CB-OE2 3.37Å; P217-E219 PolarHBondContact O-N 3.21Å; P217-M220 HydrophobicContact CG-CB 4.22Å; P217-M220 HydrophobicContact CG-CG 3.88Å; P217-M220 HydrophobicContact CG-SD 3.85Å; P217-M220 PolarHBondContact O-N 3.4Å; P217-M220 VanDerWaalsContact O-N 3.14Å; P217-V221 PolarHBondContact O-N 3.15Å; P217-V231 HydrophobicContact CG-CB 4.07Å; P217-V231 HydrophobicContact CG-CG1 3.84Å; P217-V231 HydrophobicContact CG-CG2 3.8Å; P217-W234 HydrophobicContact CB-CB 3.91Å; P217-W234 HydrophobicContact CB-CD2 4.03Å; P217-W234 HydrophobicContact CB-CG 3.67Å
218	P	65.2	Low	56	Low	3 Å²	3	69 Å²	69	2%	0.019	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-26.3	-173.5	25.4	-35.4	0	0	0	114	V221 R222 W234 I262 L287	P218-V221 WeakPolarHBondContact O-CB 3.39Å; P218-V221 PolarHBondContact O-N 3.26Å; P218-R222 WeakPolarHBondContact O-CB 3.41Å; P218-R222 VanDerWaalsContact O-CG 3.29Å; P218-R222 WeakPolarHBondContact O-CG 3.39Å; P218-R222 PolarHBondContact O-N 3.04Å; P218-W234 HydrophobicContact CG-CH2 4.31Å; P218-W234 HydrophobicContact CG-CZ3 4.27Å; P218-I262 HydrophobicContact CB-CG2 4.48Å; P218-L287 HydrophobicContact CB-CD2 4.41Å; P218-L287 HydrophobicContact CG-CD2 4.08Å
219	E	68.8	Low	57.8	Low	19 Å²	19	68.7 Å²	68.7	9%	0.089	34%	0.34	C	S	.	.	H	α-helix	trans	-71.6	-30.4	177	65.3	-84.4	-164.3	0	0	113.4	P217 V221 R222 H223 H224 P289 R292	P217-E219 VanDerWaalsContact C-N 3.28Å; P217-E219 WeakPolarHBondContact CB-OE1 3.11Å; P217-E219 WeakPolarHBondContact CB-OE2 3.37Å; P217-E219 PolarHBondContact O-N 3.21Å; E219-V221 VanDerWaalsContact C-N 3.3Å; E219-R222 CarbonylContact O-C 3.55Å; E219-R222 PolarHBondContact O-N 2.95Å; E219-H223 PolarHBondContact O-N 3.42Å; E219-H224 HydrophobicContact CB-CB 4.26Å; E219-H224 PolarHBondContact O-N 3.48Å; E219-P289 HydrophobicContact CB-CG 4.17Å; E219-P289 HydrophobicContact CG-CG 4.03Å; E219-R292 IonicContact OE1-CZ 2.86Å; E219-R292 IonicContact OE1-NH1 3.86Å; E219-R292 PolarHBondContact OE1-NH1 3.48Å; E219-R292 IonicContact OE1-NH2 3.39Å; E219-R292 PolarHBondContact OE1-NH2 3.24Å; E219-R292 IonicContact OE2-CZ 2.65Å; E219-R292 IonicContact OE2-NH1 3.2Å; E219-R292 IonicContact OE2-NH2 3.38Å; E219-R292 PolarHBondContact OE2-NH2 3.24Å
220	M	60.1	Low	60.2	Low	47 Å²	47	63.5 Å²	63.5	23%	0.232	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-34.8	171.9	-76.6	-176.3	69.8	0	0	110.6	L216 P217 V231	L216-M220 HydrophobicContact CD1-CB 3.97Å; L216-M220 HydrophobicContact CD1-CE 3.68Å; L216-M220 HydrophobicContact CD1-SD 3.91Å; L216-M220 HydrophobicContact CG-CB 4.1Å; P217-M220 HydrophobicContact CG-CB 4.22Å; P217-M220 HydrophobicContact CG-CG 3.88Å; P217-M220 HydrophobicContact CG-SD 3.85Å; P217-M220 PolarHBondContact O-N 3.4Å; P217-M220 VanDerWaalsContact O-N 3.14Å; M220-V231 HydrophobicContact CG-CG2 3.98Å; M220-V231 HydrophobicContact SD-CB 4.38Å; M220-V231 HydrophobicContact SD-CG1 3.57Å; M220-V231 VanDerWaalsContact SD-CG1 3.57Å; M220-V231 HydrophobicContact SD-CG2 3.86Å
221	V	57.3	Low	62.5	Low	16 Å²	16	61.3 Å²	61.3	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-66.3	-43.7	171.8	168.9	0	0	0	0	111.6	L216 P217 P218 E219 H223 F259 V263	L216-V221 HydrophobicContact CD2-CG2 3.39Å; L216-V221 HydrophobicContact CG-CG2 4.19Å; P217-V221 PolarHBondContact O-N 3.15Å; P218-V221 WeakPolarHBondContact O-CB 3.39Å; P218-V221 PolarHBondContact O-N 3.26Å; E219-V221 VanDerWaalsContact C-N 3.3Å; V221-H223 VanDerWaalsContact C-N 3.31Å; V221-H223 PolarHBondContact O-N 2.88Å; V221-F259 HydrophobicContact CB-CE2 4.08Å; V221-F259 HydrophobicContact CB-CZ 4.43Å; V221-F259 HydrophobicContact CG1-CD2 4.25Å; V221-F259 HydrophobicContact CG1-CE1 4.19Å; V221-F259 HydrophobicContact CG1-CE2 3.16Å; V221-F259 HydrophobicContact CG1-CZ 3.12Å; V221-F259 HydrophobicContact CG2-CD2 4.28Å; V221-F259 HydrophobicContact CG2-CE2 3.76Å; V221-V263 HydrophobicContact CG1-CG2 3.86Å
222	R	58.9	Low	64.6	Low	130 Å²	130	59.2 Å²	59.2	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	10.5	-175.7	-64.3	177.6	-179.6	-176.8	3.4	113.6	P218 E219 H224 V263	P218-R222 WeakPolarHBondContact O-CB 3.41Å; P218-R222 VanDerWaalsContact O-CG 3.29Å; P218-R222 WeakPolarHBondContact O-CG 3.39Å; P218-R222 PolarHBondContact O-N 3.04Å; E219-R222 CarbonylContact O-C 3.55Å; E219-R222 PolarHBondContact O-N 2.95Å; R222-H224 VanDerWaalsContact C-N 3.32Å; R222-H224 VanDerWaalsContact CB-ND1 3.33Å; R222-H224 WeakPolarHBondContact CB-ND1 3.31Å; R222-H224 PolarHBondContact O-CE1 3.35Å; R222-H224 PolarHBondContact O-N 2.97Å; R222-H224 PolarHBondContact O-ND1 3.01Å; R222-V263 PolarHBondContact NH2-O 3.41Å; R222-V263 VanDerWaalsContact NH2-O 3.09Å
223	H	53	Low	66.3	Low	131 Å²	131	57.4 Å²	57.4	61%	0.606	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	34.6	178.8	-57.7	-66.8	0	0	0	116.2	E219 V221 K225	E219-H223 PolarHBondContact O-N 3.42Å; V221-H223 VanDerWaalsContact C-N 3.31Å; V221-H223 PolarHBondContact O-N 2.88Å; H223-K225 PolarHBondContact O-N 3.26Å
224	H	48	Very low	68	Low	127 Å²	127	55 Å²	55	59%	0.588	26%	0.255	S	S	*	.			trans	-79	124.9	178.5	-70.6	67.6	0	0	0	110.9	E219 R222	E219-H224 HydrophobicContact CB-CB 4.26Å; E219-H224 PolarHBondContact O-N 3.48Å; R222-H224 VanDerWaalsContact C-N 3.32Å; R222-H224 VanDerWaalsContact CB-ND1 3.33Å; R222-H224 WeakPolarHBondContact CB-ND1 3.31Å; R222-H224 PolarHBondContact O-CE1 3.35Å; R222-H224 PolarHBondContact O-N 2.97Å; R222-H224 PolarHBondContact O-ND1 3.01Å
225	K	48.3	Very low	69.2	Low	153 Å²	153	53.9 Å²	53.9	67%	0.665	25%	0.25	S	C	*	.			trans	-84	-7.6	-165.5	-63.4	-176.5	178.9	176.6	0	115.7	M205 H223	M205-K225 HydrophobicContact SD-CB 4.48Å; M205-K225 HydrophobicContact SD-CD 4.1Å; M205-K225 HydrophobicContact SD-CG 3.88Å; H223-K225 PolarHBondContact O-N 3.26Å
226	N	43.7	Very low	70.1	Confident	126 Å²	126	52.9 Å²	52.9	67%	0.674	25%	0.246	S	C	*	.	S	Bend	trans	-120.1	126.2	-167.1	-63.2	-14.3	0	0	0	111
227	F	52.6	Low	71.4	Confident	166 Å²	166	52 Å²	52	73%	0.728	24%	0.241	S	C	*	.			trans	73	88.6	178.2	-50.2	-80.7	0	0	0	115.1	P230	F227-P230 VanDerWaalsContact O-CD 3.28Å; F227-P230 WeakPolarHBondContact O-CD 3.41Å
228	I	62.3	Low	73.1	Confident	62 Å²	62	51.9 Å²	51.9	32%	0.318	24%	0.241	S	C	.	.			trans	-94.7	-20.2	-175.6	-50	173.8	0	0	0	112.4	I173 P230 V231	I173-I228 HydrophobicContact CD1-CB 3.59Å; I173-I228 HydrophobicContact CD1-CG2 3.85Å; I173-I228 HydrophobicContact CG2-CG2 4.22Å; I228-P230 VanDerWaalsContact C-N 3.27Å; I228-V231 HydrophobicContact CG2-CG2 3.9Å; I228-V231 VanDerWaalsContact O-CB 3.24Å; I228-V231 WeakPolarHBondContact O-CB 3.39Å; I228-V231 VanDerWaalsContact O-CG2 3.24Å; I228-V231 WeakPolarHBondContact O-CG2 3.2Å; I228-V231 PolarHBondContact O-N 3.5Å
229	F	73.8	Confident	74.6	Confident	72 Å²	72	51.8 Å²	51.8	32%	0.316	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-38.6	175.1	-64.1	-69.4	0	0	0	114.2	H168 I173 A201 V231 D232 L233	H168-F229 HydrophobicContact CB-CD1 3.76Å; H168-F229 HydrophobicContact CB-CE1 3.79Å; H168-F229 AromaticContact CD2-CD1 3.76Å; H168-F229 AromaticContact CE1-CD1 3.86Å; H168-F229 PolarHBondContact CE1-O 3.05Å; H168-F229 AromaticContact CG-CD1 3.4Å; H168-F229 AromaticContact CG-CE1 3.89Å; H168-F229 AromaticContact ND1-CD1 3.47Å; H168-F229 WeakPolarHBondContact ND1-CD1 3.36Å; I173-F229 HydrophobicContact CD1-CD1 3.77Å; I173-F229 HydrophobicContact CD1-CE1 3.88Å; I173-F229 HydrophobicContact CD1-CG 4.13Å; I173-F229 HydrophobicContact CD1-CZ 4.32Å; I173-F229 HydrophobicContact CG1-CD1 3.57Å; I173-F229 HydrophobicContact CG1-CE1 3.55Å; I173-F229 HydrophobicContact CG1-CG 4.4Å; I173-F229 HydrophobicContact CG1-CZ 4.37Å; A201-F229 HydrophobicContact CB-CE2 4.41Å; A201-F229 HydrophobicContact CB-CZ 3.99Å; F229-V231 PolarHBondContact O-N 3.08Å; F229-D232 PolarHBondContact O-N 3.03Å; F229-L233 WeakPolarHBondContact O-CD1 3.22Å
230	P	82.9	Confident	76	Confident	17 Å²	17	50.9 Å²	50.9	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-18.9	175.4	-27.3	37.1	0	0	0	115.5	F227 I228 D232 L233 W234 P289 R292	F227-P230 VanDerWaalsContact O-CD 3.28Å; F227-P230 WeakPolarHBondContact O-CD 3.41Å; I228-P230 VanDerWaalsContact C-N 3.27Å; P230-D232 VanDerWaalsContact C-N 3.34Å; P230-D232 PolarHBondContact O-N 3.04Å; P230-L233 WeakPolarHBondContact O-CB 3.46Å; P230-L233 PolarHBondContact O-N 2.9Å; P230-W234 PolarHBondContact O-N 3.47Å; P230-W234 VanDerWaalsContact O-N 3.11Å; P230-P289 HydrophobicContact CB-CB 3.6Å; P230-P289 HydrophobicContact CG-CB 3.85Å; P230-R292 PolarHBondContact O-NH1 2.81Å
231	V	87.5	Confident	77.9	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.024	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-47.1	178.3	168.7	0	0	0	0	110.7	P217 M220 I228 F229 L233 W234 A235	P217-V231 HydrophobicContact CG-CB 4.07Å; P217-V231 HydrophobicContact CG-CG1 3.84Å; P217-V231 HydrophobicContact CG-CG2 3.8Å; M220-V231 HydrophobicContact CG-CG2 3.98Å; M220-V231 HydrophobicContact SD-CB 4.38Å; M220-V231 HydrophobicContact SD-CG1 3.57Å; M220-V231 VanDerWaalsContact SD-CG1 3.57Å; M220-V231 HydrophobicContact SD-CG2 3.86Å; I228-V231 HydrophobicContact CG2-CG2 3.9Å; I228-V231 VanDerWaalsContact O-CB 3.24Å; I228-V231 WeakPolarHBondContact O-CB 3.39Å; I228-V231 VanDerWaalsContact O-CG2 3.24Å; I228-V231 WeakPolarHBondContact O-CG2 3.2Å; I228-V231 PolarHBondContact O-N 3.5Å; F229-V231 PolarHBondContact O-N 3.08Å; V231-L233 VanDerWaalsContact C-N 3.25Å; V231-L233 PolarHBondContact O-N 2.88Å; V231-W234 PolarHBondContact O-N 2.85Å; V231-A235 PolarHBondContact O-N 3.11Å; V231-A235 VanDerWaalsContact O-N 3.14Å
232	D	91.8	Very high	79.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.2	-27.9	-179.8	-66.4	-23.9	0	0	0	111.4	L164 H168 I173 H174 R175 F229 P230 L236	L164-D232 HydrophobicContact CD1-CB 4.04Å; L164-D232 HydrophobicContact CD2-CB 3.87Å; H168-D232 IonicContact CD2-OD2 2.68Å; H168-D232 IonicContact CE1-OD2 3.5Å; H168-D232 IonicContact NE2-OD2 3.26Å; H168-D232 PolarHBondContact NE2-OD2 3.31Å; I173-D232 WeakPolarHBondContact CG2-OD2 3.3Å; H174-D232 PolarHBondContact N-OD2 3.34Å; R175-D232 PolarHBondContact N-OD1 3.4Å; F229-D232 PolarHBondContact O-N 3.03Å; P230-D232 VanDerWaalsContact C-N 3.34Å; P230-D232 PolarHBondContact O-N 3.04Å; D232-L236 WeakPolarHBondContact O-CB 3.46Å; D232-L236 PolarHBondContact O-N 3.1Å
233	L	95.5	Very high	81.7	Confident	13 Å²	13	43.7 Å²	43.7	7%	0.068	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-41.2	175.3	-77.2	60.7	0	0	0	111.4	F229 P230 V231 L236 G237 L284 R292 L293 L295	F229-L233 WeakPolarHBondContact O-CD1 3.22Å; P230-L233 WeakPolarHBondContact O-CB 3.46Å; P230-L233 PolarHBondContact O-N 2.9Å; V231-L233 VanDerWaalsContact C-N 3.25Å; V231-L233 PolarHBondContact O-N 2.88Å; L233-L236 PolarHBondContact O-N 2.91Å; L233-G237 PolarHBondContact O-N 3.5Å; L233-G237 VanDerWaalsContact O-N 3.1Å; L233-L284 HydrophobicContact CB-CD2 4.1Å; L233-L284 HydrophobicContact CG-CD2 4.41Å; L233-R292 HydrophobicContact CB-CB 4.4Å; L233-R292 HydrophobicContact CD2-CB 3.99Å; L233-L293 WeakPolarHBondContact CD2-O 3.42Å; L233-L295 HydrophobicContact CD1-CD1 3.98Å; L233-L295 HydrophobicContact CD1-CD2 3.95Å; L233-L295 HydrophobicContact CD1-CG 3.73Å; L233-L295 HydrophobicContact CG-CD2 4.08Å; L233-L295 HydrophobicContact CG-CG 4.13Å
234	W	95.4	Very high	83.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-49.4	174.5	174.4	-82.8	0	0	0	110.9	P217 P218 P230 V231 L236 G237 V238 F250 I262 C265 I285 K286	P217-W234 HydrophobicContact CB-CB 3.91Å; P217-W234 HydrophobicContact CB-CD2 4.03Å; P217-W234 HydrophobicContact CB-CG 3.67Å; P218-W234 HydrophobicContact CG-CH2 4.31Å; P218-W234 HydrophobicContact CG-CZ3 4.27Å; P230-W234 PolarHBondContact O-N 3.47Å; P230-W234 VanDerWaalsContact O-N 3.11Å; V231-W234 PolarHBondContact O-N 2.85Å; W234-L236 VanDerWaalsContact C-N 3.25Å; W234-L236 PolarHBondContact O-N 2.78Å; W234-G237 WeakPolarHBondContact O-CA 3.3Å; W234-G237 PolarHBondContact O-N 2.68Å; W234-V238 PolarHBondContact O-N 2.86Å; W234-F250 AromaticContact CE2-CE2 3.86Å; W234-F250 HydrophobicContact CH2-CE2 4Å; W234-F250 AromaticContact CH2-CZ 3.63Å; W234-F250 HydrophobicContact CH2-CZ 3.63Å; W234-F250 HydrophobicContact CZ2-CD2 4.2Å; W234-F250 HydrophobicContact CZ2-CE1 4.43Å; W234-F250 AromaticContact CZ2-CE2 3.25Å; W234-F250 HydrophobicContact CZ2-CE2 3.25Å; W234-F250 AromaticContact CZ2-CZ 3.38Å; W234-F250 HydrophobicContact CZ2-CZ 3.38Å; W234-I262 HydrophobicContact CZ2-CG2 4.22Å; W234-C265 HydrophobicContact CH2-CB 4.27Å; W234-I285 HydrophobicContact CD2-CG2 4.32Å; W234-I285 HydrophobicContact CE3-CG2 3.93Å; W234-I285 HydrophobicContact CH2-CG2 3.66Å; W234-I285 HydrophobicContact CZ2-CG2 4.06Å; W234-I285 HydrophobicContact CZ3-CG2 3.58Å; W234-K286 WeakPolarHBondContact CZ3-O 3.48Å
235	A	95.4	Very high	86.2	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	-60.7	-35.7	178.7	0	0	0	0	0	112.1	I177 V231 V238 L239	I177-A235 HydrophobicContact CB-CB 3.76Å; I177-A235 HydrophobicContact CG2-CB 3.99Å; V231-A235 PolarHBondContact O-N 3.11Å; V231-A235 VanDerWaalsContact O-N 3.14Å; A235-V238 PolarHBondContact O-N 3.03Å; A235-L239 WeakPolarHBondContact O-CG 3.41Å; A235-L239 PolarHBondContact O-N 3.46Å
236	L	97.8	Very high	88.4	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-63.6	-39.7	173.3	-173.1	63.8	0	0	0	112.6	I157 M160 A161 D232 L233 W234 L239 L240 L284 L295 V298	I157-L236 HydrophobicContact CD1-CD1 3.54Å; I157-L236 HydrophobicContact CD1-CG 4.18Å; I157-L236 HydrophobicContact CG2-CD1 4.27Å; I157-L236 HydrophobicContact CG2-CD2 4.38Å; I157-L236 HydrophobicContact CG2-CG 4.34Å; M160-L236 HydrophobicContact CB-CD1 3.49Å; M160-L236 VanDerWaalsContact CB-CD1 3.49Å; M160-L236 HydrophobicContact CG-CD1 4.25Å; A161-L236 HydrophobicContact CB-CD2 4.22Å; D232-L236 WeakPolarHBondContact O-CB 3.46Å; D232-L236 PolarHBondContact O-N 3.1Å; L233-L236 PolarHBondContact O-N 2.91Å; W234-L236 VanDerWaalsContact C-N 3.25Å; W234-L236 PolarHBondContact O-N 2.78Å; L236-L239 PolarHBondContact O-N 2.76Å; L236-L240 PolarHBondContact O-N 2.91Å; L236-L284 HydrophobicContact CD2-CD1 4.39Å; L236-L284 HydrophobicContact CG-CD1 4.28Å; L236-L295 HydrophobicContact CD2-CD2 3.78Å; L236-V298 HydrophobicContact CD2-CG1 4.25Å
237	G	98.2	Very high	90.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-42.2	173.8	0	0	0	0	0	112.5	L233 W234 L240 Y241	L233-G237 PolarHBondContact O-N 3.5Å; L233-G237 VanDerWaalsContact O-N 3.1Å; W234-G237 WeakPolarHBondContact O-CA 3.3Å; W234-G237 PolarHBondContact O-N 2.68Å; G237-L240 PolarHBondContact O-N 3.34Å; G237-Y241 PolarHBondContact O-N 2.83Å
238	V	97.8	Very high	92.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.3	-45.7	174.4	169.1	0	0	0	0	111.1	Y215 W234 A235 L240 Y241 E242 A248 P249 F250 I285	Y215-V238 HydrophobicContact CD1-CB 4.19Å; Y215-V238 HydrophobicContact CD1-CG1 3.55Å; Y215-V238 HydrophobicContact CE1-CB 4.41Å; Y215-V238 HydrophobicContact CE1-CG1 3.52Å; Y215-V238 HydrophobicContact CG-CG1 4.22Å; W234-V238 PolarHBondContact O-N 2.86Å; A235-V238 PolarHBondContact O-N 3.03Å; V238-L240 PolarHBondContact O-N 3Å; V238-Y241 PolarHBondContact O-N 3.05Å; V238-E242 PolarHBondContact O-N 3.34Å; V238-A248 HydrophobicContact CG1-CB 4.4Å; V238-P249 HydrophobicContact CG1-CG 4.45Å; V238-P249 HydrophobicContact CG2-CG 4.16Å; V238-F250 HydrophobicContact CG2-CD2 4.45Å; V238-F250 HydrophobicContact CG2-CE2 4.06Å; V238-I285 HydrophobicContact CG2-CD1 4.23Å
239	L	97.8	Very high	94.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.8	-46.7	175	-80.2	174.8	0	0	0	112.2	I157 M160 I177 P179 I182 Y215 A235 L236 Y241 E242 F243	I157-L239 HydrophobicContact CD1-CB 4.45Å; M160-L239 HydrophobicContact CE-CD1 4.25Å; I177-L239 HydrophobicContact CG2-CD1 3.36Å; I177-L239 HydrophobicContact CG2-CG 4.33Å; P179-L239 HydrophobicContact CG-CD2 3.78Å; I182-L239 HydrophobicContact CD1-CD1 3.66Å; I182-L239 HydrophobicContact CD1-CD2 4.3Å; Y215-L239 HydrophobicContact CE1-CD2 3.99Å; Y215-L239 HydrophobicContact CE1-CG 4.2Å; A235-L239 WeakPolarHBondContact O-CG 3.41Å; A235-L239 PolarHBondContact O-N 3.46Å; L236-L239 PolarHBondContact O-N 2.76Å; L239-Y241 VanDerWaalsContact C-N 3.32Å; L239-Y241 PolarHBondContact O-N 3.16Å; L239-E242 PolarHBondContact O-N 3.43Å; L239-F243 HydrophobicContact CB-CE1 4.36Å; L239-F243 HydrophobicContact CB-CE2 4.4Å; L239-F243 HydrophobicContact CB-CZ 4.06Å; L239-F243 HydrophobicContact CD2-CE1 4.02Å; L239-F243 HydrophobicContact CD2-CZ 4.17Å; L239-F243 WeakPolarHBondContact O-CD1 3.28Å; L239-F243 WeakPolarHBondContact O-CG 3.21Å; L239-F243 PolarHBondContact O-N 3.11Å
240	L	98.7	Very high	95.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-43.3	178.2	175.9	54.2	0	0	0	111.6	A153 I157 L236 G237 V238 F243 L244 L280 I281 W303	A153-L240 HydrophobicContact CB-CD1 4.24Å; I157-L240 HydrophobicContact CD1-CB 3.73Å; I157-L240 HydrophobicContact CG1-CB 3.93Å; I157-L240 HydrophobicContact CG1-CD1 3.91Å; I157-L240 HydrophobicContact CG1-CG 4.31Å; L236-L240 PolarHBondContact O-N 2.91Å; G237-L240 PolarHBondContact O-N 3.34Å; V238-L240 PolarHBondContact O-N 3Å; L240-F243 PolarHBondContact O-N 3.22Å; L240-L244 HydrophobicContact CD1-CD1 3.76Å; L240-L244 HydrophobicContact CD1-CG 4.12Å; L240-L244 HydrophobicContact CG-CD1 4.39Å; L240-L244 WeakPolarHBondContact O-CG 3.39Å; L240-L244 PolarHBondContact O-N 2.92Å; L240-L280 HydrophobicContact CD2-CB 4.04Å; L240-L280 HydrophobicContact CD2-CD2 3.66Å; L240-L280 HydrophobicContact CD2-CG 3.71Å; L240-I281 HydrophobicContact CB-CG1 4.25Å; L240-I281 HydrophobicContact CD2-CG1 3.71Å; L240-I281 HydrophobicContact CG-CD1 4.19Å; L240-I281 HydrophobicContact CG-CG1 3.69Å; L240-W303 HydrophobicContact CD1-CH2 3.6Å; L240-W303 HydrophobicContact CD1-CZ3 3.78Å; L240-W303 HydrophobicContact CD2-CZ3 4.27Å
241	Y	98.6	Very high	95.9	Very high	17 Å²	17	17.3 Å²	17.3	7%	0.067	10%	0.097	C	C	.	.	H	α-helix	trans	-58.9	-49.9	174.9	-178.7	-76.6	0	0	0	110.8	G237 V238 L239 F243 L244 V245 S247 P249 Y267 K268 I269 I281	G237-Y241 PolarHBondContact O-N 2.83Å; V238-Y241 PolarHBondContact O-N 3.05Å; L239-Y241 VanDerWaalsContact C-N 3.32Å; L239-Y241 PolarHBondContact O-N 3.16Å; Y241-F243 VanDerWaalsContact C-N 3.33Å; Y241-F243 PolarHBondContact O-N 2.97Å; Y241-L244 PolarHBondContact O-N 3.47Å; Y241-L244 VanDerWaalsContact O-N 3.14Å; Y241-V245 HydrophobicContact CD1-CB 3.97Å; Y241-V245 HydrophobicContact CD1-CG2 4.03Å; Y241-V245 HydrophobicContact CD2-CG2 4.25Å; Y241-V245 HydrophobicContact CE1-CB 3.58Å; Y241-V245 HydrophobicContact CE1-CG1 3.66Å; Y241-V245 HydrophobicContact CE1-CG2 3.76Å; Y241-V245 HydrophobicContact CE2-CG2 4.01Å; Y241-V245 HydrophobicContact CG-CG2 4.26Å; Y241-V245 WeakPolarHBondContact O-CB 3.49Å; Y241-V245 WeakPolarHBondContact O-CG2 3.3Å; Y241-V245 PolarHBondContact O-N 3.26Å; Y241-S247 WeakPolarHBondContact CD1-O 3.26Å; Y241-S247 WeakPolarHBondContact CE1-O 3.18Å; Y241-P249 HydrophobicContact CD1-CB 3.64Å; Y241-P249 VanDerWaalsContact CD1-CD 3.48Å; Y241-P249 HydrophobicContact CD1-CG 3.96Å; Y241-P249 HydrophobicContact CD2-CB 3.81Å; Y241-P249 HydrophobicContact CD2-CG 4.44Å; Y241-P249 HydrophobicContact CE1-CB 3.74Å; Y241-P249 HydrophobicContact CE1-CG 4.49Å; Y241-P249 HydrophobicContact CE2-CB 3.87Å; Y241-P249 HydrophobicContact CG-CB 3.69Å; Y241-P249 HydrophobicContact CG-CG 3.93Å; Y241-Y267 HydrophobicContact CD2-CD2 4.25Å; Y241-Y267 HydrophobicContact CE2-CD2 4.08Å; Y241-K268 PolarHBondContact OH-O 3.5Å; Y241-I269 HydrophobicContact CD2-CG1 4.34Å; Y241-I269 HydrophobicContact CE2-CG1 4.18Å; Y241-I281 HydrophobicContact CD2-CD1 4.34Å; Y241-I281 HydrophobicContact CD2-CG2 4.27Å
242	E	97.9	Very high	95.9	Very high	26 Å²	26	18.1 Å²	18.1	12%	0.121	10%	0.103	C	C	.	.	H	α-helix	trans	-62.4	-39.4	-179	-173.8	-176.6	-137.9	0	0	112.1	L142 P179 Y215 V238 L239 L244 V245 G246	L142-E242 HydrophobicContact CD1-CG 4.4Å; P179-E242 WeakPolarHBondContact CG-OE2 3.34Å; Y215-E242 VanDerWaalsContact OH-CD 3.29Å; Y215-E242 PolarHBondContact OH-OE1 3.21Å; Y215-E242 PolarHBondContact OH-OE2 3.26Å; V238-E242 PolarHBondContact O-N 3.34Å; L239-E242 PolarHBondContact O-N 3.43Å; E242-L244 PolarHBondContact O-N 2.85Å; E242-V245 PolarHBondContact O-N 3.3Å; E242-G246 VanDerWaalsContact O-CA 3.25Å; E242-G246 WeakPolarHBondContact O-CA 3.1Å; E242-G246 PolarHBondContact O-N 3.01Å
243	F	98.4	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.8	-39.3	175.3	-65.6	-11.7	0	0	0	112	L138 L142 T147 L148 A153 Y156 I157 L239 L240 Y241	L138-F243 HydrophobicContact CD2-CE1 3.73Å; L138-F243 HydrophobicContact CD2-CZ 3.72Å; L138-F243 HydrophobicContact CG-CE1 4.44Å; L142-F243 HydrophobicContact CD1-CD1 4.04Å; L142-F243 HydrophobicContact CD1-CE1 4.03Å; L142-F243 HydrophobicContact CD2-CD1 3.79Å; L142-F243 HydrophobicContact CD2-CE1 4.33Å; T147-F243 CarbonylContact C-O 3.58Å; T147-F243 WeakPolarHBondContact CA-O 3.08Å; L148-F243 HydrophobicContact CB-CB 4.33Å; L148-F243 HydrophobicContact CD1-CB 4.02Å; L148-F243 HydrophobicContact CD1-CD1 3.94Å; L148-F243 HydrophobicContact CD1-CD2 4.22Å; L148-F243 HydrophobicContact CD1-CE1 4.49Å; L148-F243 HydrophobicContact CD1-CG 3.79Å; L148-F243 HydrophobicContact CG-CB 4.2Å; L148-F243 HydrophobicContact CG-CG 4.46Å; L148-F243 PolarHBondContact N-O 2.78Å; A153-F243 HydrophobicContact CB-CB 4.05Å; A153-F243 HydrophobicContact CB-CD2 4.13Å; Y156-F243 HydrophobicContact CD2-CE2 4.31Å; Y156-F243 HydrophobicContact CD2-CZ 4.39Å; I157-F243 HydrophobicContact CD1-CD2 4.18Å; I157-F243 HydrophobicContact CD1-CE2 3.79Å; I157-F243 HydrophobicContact CG1-CD2 4.36Å; I157-F243 HydrophobicContact CG1-CE2 4.25Å; L239-F243 HydrophobicContact CB-CE1 4.36Å; L239-F243 HydrophobicContact CB-CE2 4.4Å; L239-F243 HydrophobicContact CB-CZ 4.06Å; L239-F243 HydrophobicContact CD2-CE1 4.02Å; L239-F243 HydrophobicContact CD2-CZ 4.17Å; L239-F243 WeakPolarHBondContact O-CD1 3.28Å; L239-F243 WeakPolarHBondContact O-CG 3.21Å; L239-F243 PolarHBondContact O-N 3.11Å; L240-F243 PolarHBondContact O-N 3.22Å; Y241-F243 VanDerWaalsContact C-N 3.33Å; Y241-F243 PolarHBondContact O-N 2.97Å
244	L	98.4	Very high	95.3	Very high	23 Å²	23	33.5 Å²	33.5	12%	0.12	17%	0.172	C	C	.	.	H	α-helix	trans	-92.7	-23.8	-173.6	-61.5	179.1	0	0	0	113.6	E150 A153 L240 Y241 E242 V273 A277 W303	E150-L244 HydrophobicContact CG-CD2 4.09Å; A153-L244 HydrophobicContact CB-CD2 3.82Å; A153-L244 HydrophobicContact CB-CG 4.44Å; L240-L244 HydrophobicContact CD1-CD1 3.76Å; L240-L244 HydrophobicContact CD1-CG 4.12Å; L240-L244 HydrophobicContact CG-CD1 4.39Å; L240-L244 WeakPolarHBondContact O-CG 3.39Å; L240-L244 PolarHBondContact O-N 2.92Å; Y241-L244 PolarHBondContact O-N 3.47Å; Y241-L244 VanDerWaalsContact O-N 3.14Å; E242-L244 PolarHBondContact O-N 2.85Å; L244-V273 HydrophobicContact CB-CG2 4.27Å; L244-V273 HydrophobicContact CD1-CG1 4.04Å; L244-A277 HydrophobicContact CD1-CB 3.52Å; L244-W303 HydrophobicContact CD1-CZ2 4.3Å
245	V	97.5	Very high	94.8	Very high	36 Å²	36	40 Å²	40	22%	0.218	20%	0.202	C	C	.	.	H	α-helix	trans	-110.4	-23.1	-173.5	-178	0	0	0	0	112.5	Y241 E242 P270 V273	Y241-V245 HydrophobicContact CD1-CB 3.97Å; Y241-V245 HydrophobicContact CD1-CG2 4.03Å; Y241-V245 HydrophobicContact CD2-CG2 4.25Å; Y241-V245 HydrophobicContact CE1-CB 3.58Å; Y241-V245 HydrophobicContact CE1-CG1 3.66Å; Y241-V245 HydrophobicContact CE1-CG2 3.76Å; Y241-V245 HydrophobicContact CE2-CG2 4.01Å; Y241-V245 HydrophobicContact CG-CG2 4.26Å; Y241-V245 WeakPolarHBondContact O-CB 3.49Å; Y241-V245 WeakPolarHBondContact O-CG2 3.3Å; Y241-V245 PolarHBondContact O-N 3.26Å; E242-V245 PolarHBondContact O-N 3.3Å; V245-P270 HydrophobicContact CG1-CG 3.89Å; V245-P270 HydrophobicContact CG2-CG 3.95Å; V245-V273 HydrophobicContact CG2-CG2 3.85Å
246	G	95	Very high	94.4	Very high	36 Å²	36	45.7 Å²	45.7	37%	0.371	23%	0.229	S	C	.	.	S	Bend	trans	84.4	8.3	177.2	0	0	0	0	0	115.5	R146 E242	R146-G246 WeakPolarHBondContact O-CA 3.36Å; E242-G246 VanDerWaalsContact O-CA 3.25Å; E242-G246 WeakPolarHBondContact O-CA 3.1Å; E242-G246 PolarHBondContact O-N 3.01Å
247	S	93.7	Very high	94.1	Very high	51 Å²	51	48.1 Å²	48.1	36%	0.357	24%	0.24	S	C	.	.	S	Bend	trans	-153.8	156.9	168.9	53.3	0	0	0	0	109.7	Y241	Y241-S247 WeakPolarHBondContact CD1-O 3.26Å; Y241-S247 WeakPolarHBondContact CE1-O 3.18Å
248	A	95.1	Very high	93.6	Very high	10 Å²	10	48.3 Å²	48.3	8%	0.083	24%	0.241	C	C	.	.			trans	-62.9	146.7	176.6	0	0	0	0	0	111.9	D214 V238 F250 Y251	D214-A248 HydrophobicContact CB-CB 3.89Å; V238-A248 HydrophobicContact CG1-CB 4.4Å; A248-F250 VanDerWaalsContact C-N 3.26Å; A248-F250 PolarHBondContact O-N 3Å; A248-Y251 WeakPolarHBondContact O-CB 3.41Å; A248-Y251 PolarHBondContact O-N 2.86Å
249	P	96.2	Very high	93	Very high	7 Å²	7	52.3 Å²	52.3	5%	0.045	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.6	-172.9	21.1	-27.8	0	0	0	114.3	V238 Y241 Y267 I285	V238-P249 HydrophobicContact CG1-CG 4.45Å; V238-P249 HydrophobicContact CG2-CG 4.16Å; Y241-P249 HydrophobicContact CD1-CB 3.64Å; Y241-P249 VanDerWaalsContact CD1-CD 3.48Å; Y241-P249 HydrophobicContact CD1-CG 3.96Å; Y241-P249 HydrophobicContact CD2-CB 3.81Å; Y241-P249 HydrophobicContact CD2-CG 4.44Å; Y241-P249 HydrophobicContact CE1-CB 3.74Å; Y241-P249 HydrophobicContact CE1-CG 4.49Å; Y241-P249 HydrophobicContact CE2-CB 3.87Å; Y241-P249 HydrophobicContact CG-CB 3.69Å; Y241-P249 HydrophobicContact CG-CG 3.93Å; P249-Y267 HydrophobicContact CB-CD2 3.9Å; P249-Y267 HydrophobicContact CB-CG 3.95Å; P249-Y267 WeakPolarHBondContact O-CB 3.4Å; P249-I285 HydrophobicContact CG-CD1 4.05Å
250	F	95.3	Very high	92.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-2.4	-176.7	-52.7	-66.1	0	0	0	113.2	W234 V238 A248 S252 T258 R261 I262 Y267 I285	W234-F250 AromaticContact CE2-CE2 3.86Å; W234-F250 HydrophobicContact CH2-CE2 4Å; W234-F250 AromaticContact CH2-CZ 3.63Å; W234-F250 HydrophobicContact CH2-CZ 3.63Å; W234-F250 HydrophobicContact CZ2-CD2 4.2Å; W234-F250 HydrophobicContact CZ2-CE1 4.43Å; W234-F250 AromaticContact CZ2-CE2 3.25Å; W234-F250 HydrophobicContact CZ2-CE2 3.25Å; W234-F250 AromaticContact CZ2-CZ 3.38Å; W234-F250 HydrophobicContact CZ2-CZ 3.38Å; V238-F250 HydrophobicContact CG2-CD2 4.45Å; V238-F250 HydrophobicContact CG2-CE2 4.06Å; A248-F250 VanDerWaalsContact C-N 3.26Å; A248-F250 PolarHBondContact O-N 3Å; F250-S252 PolarHBondContact O-N 3.41Å; F250-T258 HydrophobicContact CB-CG2 4.39Å; F250-T258 WeakPolarHBondContact O-CA 3.21Å; F250-R261 HydrophobicContact CB-CB 4.2Å; F250-R261 HydrophobicContact CD1-CB 4Å; F250-I262 HydrophobicContact CB-CD1 4.43Å; F250-I262 HydrophobicContact CB-CG1 3.74Å; F250-I262 HydrophobicContact CD1-CG1 4.31Å; F250-I262 HydrophobicContact CD2-CG1 3.82Å; F250-I262 HydrophobicContact CG-CG1 3.68Å; F250-Y267 AromaticContact CE1-CD1 3.57Å; F250-Y267 HydrophobicContact CE1-CD1 3.57Å; F250-Y267 HydrophobicContact CE1-CE1 4.48Å; F250-Y267 HydrophobicContact CE1-CG 4.05Å; F250-Y267 AromaticContact CZ-CD1 3.81Å; F250-Y267 HydrophobicContact CZ-CD1 3.81Å; F250-Y267 HydrophobicContact CZ-CE1 4.35Å; F250-Y267 HydrophobicContact CZ-CG 4.37Å; F250-I285 HydrophobicContact CE2-CG2 4.08Å; F250-I285 HydrophobicContact CZ-CG2 3.57Å
251	Y	91.1	Very high	92.4	Very high	137 Å²	137	62.8 Å²	62.8	54%	0.537	30%	0.298	S	S	.	.			trans	-56.5	136	-175.1	173.9	-102.9	0	0	0	111.3	A248	A248-Y251 WeakPolarHBondContact O-CB 3.41Å; A248-Y251 PolarHBondContact O-N 2.86Å
252	S	88.4	Confident	92	Very high	21 Å²	21	62.1 Å²	62.1	15%	0.147	30%	0.296	C	S	.	.			trans	-150.4	162.5	171.9	77.6	0	0	0	0	109	F250 K254 E257 T258	F250-S252 PolarHBondContact O-N 3.41Å; S252-K254 PolarHBondContact O-N 3.36Å; S252-K254 PolarHBondContact OG-O 3.1Å; S252-E257 WeakPolarHBondContact OG-CB 3.12Å; S252-E257 WeakPolarHBondContact OG-CG 3.19Å; S252-T258 PolarHBondContact N-OG1 3.32Å; S252-T258 VanDerWaalsContact N-OG1 3.16Å; S252-T258 PolarHBondContact O-OG1 2.63Å; S252-T258 PolarHBondContact OG-N 3.48Å; S252-T258 PolarHBondContact OG-OG1 2.92Å
253	Q	87.8	Confident	91.6	Very high	185 Å²	185	62.1 Å²	62.1	86%	0.864	30%	0.298	S	S	*	.	S	Bend	trans	-68.2	-20.1	-179.7	-66.1	-179.5	-3.1	0	0	113.5
254	K	87.7	Confident	91.3	Very high	150 Å²	150	66.9 Å²	66.9	65%	0.652	32%	0.323	S	S	*	.	S	Bend	trans	-114.3	126.9	-177.8	-64.8	-173.8	-179.8	-176.8	0	109.8	S252 E256 E257 T258	S252-K254 PolarHBondContact O-N 3.36Å; S252-K254 PolarHBondContact OG-O 3.1Å; K254-E256 PolarHBondContact O-N 2.89Å; K254-E257 HydrophobicContact CB-CB 4.24Å; K254-E257 WeakPolarHBondContact O-CB 3.22Å; K254-E257 PolarHBondContact O-N 2.89Å; K254-T258 PolarHBondContact O-N 3.15Å; K254-T258 VanDerWaalsContact O-N 3.1Å
255	Q	84.3	Confident	91	Very high	136 Å²	136	67 Å²	67	64%	0.636	33%	0.326	S	S	*	.	H	α-helix	trans	-57.4	-36.3	-177.3	-69.2	-174.9	-50.4	0	0	112.5	L213 E257 T258 F259	L213-Q255 HydrophobicContact CD1-CB 3.77Å; L213-Q255 HydrophobicContact CD1-CG 4.01Å; Q255-E257 VanDerWaalsContact C-N 3.3Å; Q255-E257 PolarHBondContact O-N 3.03Å; Q255-T258 PolarHBondContact O-N 3.28Å; Q255-F259 WeakPolarHBondContact O-CB 3.36Å; Q255-F259 PolarHBondContact O-N 3.45Å
256	E	87.7	Confident	90.8	Very high	125 Å²	125	68.4 Å²	68.4	58%	0.584	34%	0.337	S	S	*	.	H	α-helix	trans	-65.8	-32.9	178.1	-57.8	76.9	-167.1	0	0	112.4	K254 R260	K254-E256 PolarHBondContact O-N 2.89Å; E256-R260 VanDerWaalsContact O-CB 3.32Å; E256-R260 WeakPolarHBondContact O-CB 3.46Å; E256-R260 PolarHBondContact O-N 3.06Å
257	E	90.2	Very high	90.9	Very high	50 Å²	50	68.8 Å²	68.8	23%	0.234	33%	0.327	C	S	.	.	H	α-helix	trans	-75.8	-41.7	177.1	173.1	62.8	-169.4	0	0	110.8	S252 K254 Q255 F259 R260 R261	S252-E257 WeakPolarHBondContact OG-CB 3.12Å; S252-E257 WeakPolarHBondContact OG-CG 3.19Å; K254-E257 HydrophobicContact CB-CB 4.24Å; K254-E257 WeakPolarHBondContact O-CB 3.22Å; K254-E257 PolarHBondContact O-N 2.89Å; Q255-E257 VanDerWaalsContact C-N 3.3Å; Q255-E257 PolarHBondContact O-N 3.03Å; E257-F259 VanDerWaalsContact C-N 3.29Å; E257-F259 PolarHBondContact O-N 3.41Å; E257-R260 PolarHBondContact O-N 2.84Å; E257-R260 IonicContact OE2-CZ 3.61Å; E257-R260 IonicContact OE2-NH1 3.7Å; E257-R260 PolarHBondContact OE2-NH1 3.12Å; E257-R261 VanDerWaalsContact O-CG 3.3Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-N 2.93Å; E257-R261 IonicContact OE1-CZ 3.73Å; E257-R261 IonicContact OE1-NE 2.89Å; E257-R261 PolarHBondContact OE1-NE 3.21Å; E257-R261 IonicContact OE1-NH2 3.77Å; E257-R261 PolarHBondContact OE1-NH2 3.25Å
258	T	89.2	Confident	91	Very high	5 Å²	5	75 Å²	75	3%	0.031	35%	0.348	C	S	.	.	H	α-helix	trans	-57.1	-47.4	172	-61.4	0	0	0	0	110	L213 D214 F250 S252 K254 Q255 R260 R261 I262	L213-T258 HydrophobicContact CB-CG2 4.34Å; D214-T258 WeakPolarHBondContact OD1-CG2 3.49Å; F250-T258 HydrophobicContact CB-CG2 4.39Å; F250-T258 WeakPolarHBondContact O-CA 3.21Å; S252-T258 PolarHBondContact N-OG1 3.32Å; S252-T258 VanDerWaalsContact N-OG1 3.16Å; S252-T258 PolarHBondContact O-OG1 2.63Å; S252-T258 PolarHBondContact OG-N 3.48Å; S252-T258 PolarHBondContact OG-OG1 2.92Å; K254-T258 PolarHBondContact O-N 3.15Å; K254-T258 VanDerWaalsContact O-N 3.1Å; Q255-T258 PolarHBondContact O-N 3.28Å; T258-R260 PolarHBondContact O-N 3.17Å; T258-R261 WeakPolarHBondContact O-CB 3.25Å; T258-R261 PolarHBondContact O-N 3.46Å; T258-I262 HydrophobicContact CG2-CD1 3.95Å; T258-I262 WeakPolarHBondContact O-CG1 3.43Å; T258-I262 PolarHBondContact O-N 3.41Å
259	F	84.8	Confident	91.1	Very high	83 Å²	83	76.4 Å²	76.4	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-59	-47.8	176.3	-178	-92.4	0	0	0	112.4	V221 Q255 E257 R261 I262 V263	V221-F259 HydrophobicContact CB-CE2 4.08Å; V221-F259 HydrophobicContact CB-CZ 4.43Å; V221-F259 HydrophobicContact CG1-CD2 4.25Å; V221-F259 HydrophobicContact CG1-CE1 4.19Å; V221-F259 HydrophobicContact CG1-CE2 3.16Å; V221-F259 HydrophobicContact CG1-CZ 3.12Å; V221-F259 HydrophobicContact CG2-CD2 4.28Å; V221-F259 HydrophobicContact CG2-CE2 3.76Å; Q255-F259 WeakPolarHBondContact O-CB 3.36Å; Q255-F259 PolarHBondContact O-N 3.45Å; E257-F259 VanDerWaalsContact C-N 3.29Å; E257-F259 PolarHBondContact O-N 3.41Å; F259-R261 VanDerWaalsContact C-N 3.28Å; F259-R261 PolarHBondContact O-N 3.45Å; F259-I262 PolarHBondContact O-N 2.99Å; F259-V263 HydrophobicContact CD1-CG2 4.05Å; F259-V263 HydrophobicContact CE1-CG2 3.76Å; F259-V263 HydrophobicContact CE2-CG2 4.49Å; F259-V263 HydrophobicContact CZ-CG2 4.02Å; F259-V263 WeakPolarHBondContact O-CG2 2.95Å; F259-V263 PolarHBondContact O-N 2.87Å
260	R	90.9	Very high	91.1	Very high	135 Å²	135	78.2 Å²	78.2	51%	0.509	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-42.2	176.6	-175.1	-175.2	-60.8	134.1	2.2	111.5	E256 E257 T258 V263 N264	E256-R260 VanDerWaalsContact O-CB 3.32Å; E256-R260 WeakPolarHBondContact O-CB 3.46Å; E256-R260 PolarHBondContact O-N 3.06Å; E257-R260 PolarHBondContact O-N 2.84Å; E257-R260 IonicContact OE2-CZ 3.61Å; E257-R260 IonicContact OE2-NH1 3.7Å; E257-R260 PolarHBondContact OE2-NH1 3.12Å; T258-R260 PolarHBondContact O-N 3.17Å; R260-V263 PolarHBondContact O-N 2.96Å; R260-N264 WeakPolarHBondContact O-CB 3.18Å; R260-N264 PolarHBondContact O-N 3.49Å; R260-N264 PolarHBondContact O-ND2 3.35Å
261	R	92.6	Very high	91.2	Very high	86 Å²	86	88.7 Å²	88.7	33%	0.325	41%	0.411	S	S	.	.	H	α-helix	trans	-65.1	-41.4	177.7	-73.1	175	178.4	-131.7	-2.2	112.4	F250 E257 T258 F259 N264 C265 S266	F250-R261 HydrophobicContact CB-CB 4.2Å; F250-R261 HydrophobicContact CD1-CB 4Å; E257-R261 VanDerWaalsContact O-CG 3.3Å; E257-R261 WeakPolarHBondContact O-CG 3.45Å; E257-R261 PolarHBondContact O-N 2.93Å; E257-R261 IonicContact OE1-CZ 3.73Å; E257-R261 IonicContact OE1-NE 2.89Å; E257-R261 PolarHBondContact OE1-NE 3.21Å; E257-R261 IonicContact OE1-NH2 3.77Å; E257-R261 PolarHBondContact OE1-NH2 3.25Å; T258-R261 WeakPolarHBondContact O-CB 3.25Å; T258-R261 PolarHBondContact O-N 3.46Å; F259-R261 VanDerWaalsContact C-N 3.28Å; F259-R261 PolarHBondContact O-N 3.45Å; R261-N264 CarbonylContact O-C 3.47Å; R261-N264 PolarHBondContact O-N 3.31Å; R261-C265 CarbonylContact O-C 3.54Å; R261-C265 VanDerWaalsContact O-CA 3.29Å; R261-C265 WeakPolarHBondContact O-CA 3.43Å; R261-C265 PolarHBondContact O-N 3.24Å; R261-S266 PolarHBondContact O-N 3.45Å
262	I	90.1	Very high	91.4	Very high	2 Å²	2	87 Å²	87	1%	0.01	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-50.6	175.3	-69.7	163.2	0	0	0	110.7	L213 L216 P218 W234 F250 T258 F259 N264 C265	L213-I262 WeakPolarHBondContact O-CD1 3.38Å; L216-I262 WeakPolarHBondContact O-CG2 3.39Å; P218-I262 HydrophobicContact CB-CG2 4.48Å; W234-I262 HydrophobicContact CZ2-CG2 4.22Å; F250-I262 HydrophobicContact CB-CD1 4.43Å; F250-I262 HydrophobicContact CB-CG1 3.74Å; F250-I262 HydrophobicContact CD1-CG1 4.31Å; F250-I262 HydrophobicContact CD2-CG1 3.82Å; F250-I262 HydrophobicContact CG-CG1 3.68Å; T258-I262 HydrophobicContact CG2-CD1 3.95Å; T258-I262 WeakPolarHBondContact O-CG1 3.43Å; T258-I262 PolarHBondContact O-N 3.41Å; F259-I262 PolarHBondContact O-N 2.99Å; I262-N264 PolarHBondContact O-N 2.89Å; I262-C265 PolarHBondContact O-N 3.25Å
263	V	89	Confident	91.8	Very high	27 Å²	27	86.6 Å²	86.6	16%	0.164	42%	0.416	C	S	.	.	H	α-helix	trans	-61.4	-31.8	-177.7	171.7	0	0	0	0	112.1	V221 R222 F259 R260 L287	V221-V263 HydrophobicContact CG1-CG2 3.86Å; R222-V263 PolarHBondContact NH2-O 3.41Å; R222-V263 VanDerWaalsContact NH2-O 3.09Å; F259-V263 HydrophobicContact CD1-CG2 4.05Å; F259-V263 HydrophobicContact CE1-CG2 3.76Å; F259-V263 HydrophobicContact CE2-CG2 4.49Å; F259-V263 HydrophobicContact CZ-CG2 4.02Å; F259-V263 WeakPolarHBondContact O-CG2 2.95Å; F259-V263 PolarHBondContact O-N 2.87Å; R260-V263 PolarHBondContact O-N 2.96Å; V263-L287 WeakPolarHBondContact O-CD2 3.46Å
264	N	91.8	Very high	92.3	Very high	100 Å²	100	79.2 Å²	79.2	54%	0.535	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-1.2	176.5	-65.2	-27.7	0	0	0	113.4	R260 R261 I262 S266	R260-N264 WeakPolarHBondContact O-CB 3.18Å; R260-N264 PolarHBondContact O-N 3.49Å; R260-N264 PolarHBondContact O-ND2 3.35Å; R261-N264 CarbonylContact O-C 3.47Å; R261-N264 PolarHBondContact O-N 3.31Å; I262-N264 PolarHBondContact O-N 2.89Å; N264-S266 PolarHBondContact O-N 3.01Å
265	C	92.6	Very high	92.8	Very high	26 Å²	26	77.7 Å²	77.7	18%	0.176	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.9	42.9	-170.9	-168.7	0	0	0	0	112.7	W234 R261 I262 Y267 L287	W234-C265 HydrophobicContact CH2-CB 4.27Å; R261-C265 CarbonylContact O-C 3.54Å; R261-C265 VanDerWaalsContact O-CA 3.29Å; R261-C265 WeakPolarHBondContact O-CA 3.43Å; R261-C265 PolarHBondContact O-N 3.24Å; I262-C265 PolarHBondContact O-N 3.25Å; C265-Y267 WeakPolarHBondContact O-CD1 3.43Å; C265-L287 HydrophobicContact CB-CD1 4.05Å; C265-L287 HydrophobicContact CB-CD2 3.43Å; C265-L287 VanDerWaalsContact CB-CD2 3.43Å; C265-L287 HydrophobicContact CB-CG 3.38Å
266	S	94.1	Very high	93.5	Very high	65 Å²	65	72.5 Å²	72.5	46%	0.455	37%	0.373	S	S	.	.			trans	-95.5	101.9	-175.1	170.5	0	0	0	0	110.6	R261 N264	R261-S266 PolarHBondContact O-N 3.45Å; N264-S266 PolarHBondContact O-N 3.01Å
267	Y	96	Very high	94	Very high	43 Å²	43	66.5 Å²	66.5	17%	0.169	35%	0.345	C	S	.	.			trans	-144.9	164.7	173.6	66.7	-75.4	0	0	0	109.9	Y241 P249 F250 C265 I269 I281 I285	Y241-Y267 HydrophobicContact CD2-CD2 4.25Å; Y241-Y267 HydrophobicContact CE2-CD2 4.08Å; P249-Y267 HydrophobicContact CB-CD2 3.9Å; P249-Y267 HydrophobicContact CB-CG 3.95Å; P249-Y267 WeakPolarHBondContact O-CB 3.4Å; F250-Y267 AromaticContact CE1-CD1 3.57Å; F250-Y267 HydrophobicContact CE1-CD1 3.57Å; F250-Y267 HydrophobicContact CE1-CE1 4.48Å; F250-Y267 HydrophobicContact CE1-CG 4.05Å; F250-Y267 AromaticContact CZ-CD1 3.81Å; F250-Y267 HydrophobicContact CZ-CD1 3.81Å; F250-Y267 HydrophobicContact CZ-CE1 4.35Å; F250-Y267 HydrophobicContact CZ-CG 4.37Å; C265-Y267 WeakPolarHBondContact O-CD1 3.43Å; Y267-I269 HydrophobicContact CD2-CG1 4.13Å; Y267-I269 HydrophobicContact CE2-CD1 3.98Å; Y267-I269 HydrophobicContact CE2-CG1 3.75Å; Y267-I281 HydrophobicContact CE2-CG2 3.93Å; Y267-I285 HydrophobicContact CD1-CG2 4.29Å; Y267-I285 HydrophobicContact CE1-CB 4.19Å; Y267-I285 HydrophobicContact CE1-CG2 3.6Å; Y267-I285 HydrophobicContact CE2-CD1 4.38Å
268	K	96.2	Very high	94.4	Very high	181 Å²	181	65.2 Å²	65.2	79%	0.787	34%	0.341	S	S	*	.			trans	-126.5	127.5	178.3	-69.2	-176.3	179.3	179.9	0	109.2	Y241 P270	Y241-K268 PolarHBondContact OH-O 3.5Å; K268-P270 WeakPolarHBondContact O-CD 3.23Å
269	I	97.6	Very high	94.9	Very high	41 Å²	41	68.9 Å²	68.9	21%	0.21	36%	0.361	C	S	.	.			trans	-84.3	122	173.7	-60.3	176.1	0	0	0	108.4	Y241 Y267 V273 S278 I281 Q282	Y241-I269 HydrophobicContact CD2-CG1 4.34Å; Y241-I269 HydrophobicContact CE2-CG1 4.18Å; Y267-I269 HydrophobicContact CD2-CG1 4.13Å; Y267-I269 HydrophobicContact CE2-CD1 3.98Å; Y267-I269 HydrophobicContact CE2-CG1 3.75Å; I269-V273 HydrophobicContact CG2-CB 3.65Å; I269-V273 HydrophobicContact CG2-CG1 3.9Å; I269-V273 HydrophobicContact CG2-CG2 3.95Å; I269-S278 WeakPolarHBondContact CD1-OG 3.42Å; I269-I281 HydrophobicContact CD1-CB 4.11Å; I269-I281 HydrophobicContact CD1-CG2 3.87Å; I269-I281 HydrophobicContact CG1-CG2 4.48Å; I269-Q282 HydrophobicContact CD1-CG 3.72Å
270	P	96.9	Very high	95.5	Very high	44 Å²	44	64.9 Å²	64.9	29%	0.286	34%	0.344	S	S	.	.			trans	-61.4	149	176.4	-23.3	34.6	0	0	0	112.2	V245 K268 S272 V273	V245-P270 HydrophobicContact CG1-CG 3.89Å; V245-P270 HydrophobicContact CG2-CG 3.95Å; K268-P270 WeakPolarHBondContact O-CD 3.23Å; P270-S272 PolarHBondContact O-N 2.94Å; P270-S272 VanDerWaalsContact O-N 3.08Å; P270-V273 PolarHBondContact O-N 3.44Å
271	K	96	Very high	95.9	Very high	220 Å²	220	58.5 Å²	58.5	96%	0.957	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-15.4	177.6	-65.3	-173.8	179.7	-177.7	0	114	V273	K271-V273 VanDerWaalsContact C-N 3.29Å
272	S	95.2	Very high	96.1	Very high	103 Å²	103	59.1 Å²	59.1	72%	0.72	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.3	175.1	53.6	0	0	0	0	113.2	P270	P270-S272 PolarHBondContact O-N 2.94Å; P270-S272 VanDerWaalsContact O-N 3.08Å
273	V	98	Very high	96.5	Very high	12 Å²	12	60 Å²	60	7%	0.073	33%	0.332	C	S	.	.	S	Bend	trans	-78.2	130	175.1	178.8	0	0	0	0	108.7	L244 V245 I269 P270 K271 A277 I281	L244-V273 HydrophobicContact CB-CG2 4.27Å; L244-V273 HydrophobicContact CD1-CG1 4.04Å; V245-V273 HydrophobicContact CG2-CG2 3.85Å; I269-V273 HydrophobicContact CG2-CB 3.65Å; I269-V273 HydrophobicContact CG2-CG1 3.9Å; I269-V273 HydrophobicContact CG2-CG2 3.95Å; P270-V273 PolarHBondContact O-N 3.44Å; K271-V273 VanDerWaalsContact C-N 3.29Å; V273-A277 HydrophobicContact CG1-CB 3.56Å; V273-I281 HydrophobicContact CG1-CD1 4.3Å
274	S	98.2	Very high	96.9	Very high	30 Å²	30	58.7 Å²	58.7	21%	0.21	32%	0.324	C	S	.	.			trans	-61.5	154	-179.3	66.1	0	0	0	0	112.3	E150 G276 A277 S278 W303	E150-S274 VanDerWaalsContact CD-OG 3.27Å; E150-S274 WeakPolarHBondContact OE1-CB 3.22Å; E150-S274 PolarHBondContact OE1-N 2.85Å; E150-S274 PolarHBondContact OE1-OG 3.25Å; E150-S274 PolarHBondContact OE2-OG 2.94Å; S274-G276 PolarHBondContact O-N 2.85Å; S274-A277 PolarHBondContact O-N 2.78Å; S274-A277 WeakPolarHBondContact OG-CB 3.31Å; S274-A277 PolarHBondContact OG-N 3.46Å; S274-S278 WeakPolarHBondContact O-CB 3.16Å; S274-S278 PolarHBondContact O-N 3.06Å; S274-W303 PolarHBondContact OG-NE1 3.13Å
275	P	98.2	Very high	97.2	Very high	117 Å²	117	54.1 Å²	54.1	76%	0.76	30%	0.3	S	S	*	.	H	α-helix	trans	-54.5	-37.6	176.2	-27.9	35.7	0	0	0	113.3	S278 D279	P275-S278 PolarHBondContact O-N 3.48Å; P275-D279 WeakPolarHBondContact O-CB 3.45Å; P275-D279 PolarHBondContact O-N 3.45Å
276	G	98.3	Very high	97.3	Very high	27 Å²	27	56.5 Å²	56.5	28%	0.278	31%	0.307	S	S	.	.	H	α-helix	trans	-69.3	-40.4	179.2	0	0	0	0	0	113.8	S274 L280 W303	S274-G276 PolarHBondContact O-N 2.85Å; G276-L280 PolarHBondContact O-N 3.41Å; G276-W303 VanDerWaalsContact C-CD1 3.46Å; G276-W303 VanDerWaalsContact C-CG 3.47Å; G276-W303 WeakPolarHBondContact O-CB 3.19Å
277	A	98.5	Very high	97.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-66	-43.3	173.2	0	0	0	0	0	110.9	L244 V273 S274 D279 L280 I281 W303	L244-A277 HydrophobicContact CD1-CB 3.52Å; V273-A277 HydrophobicContact CG1-CB 3.56Å; S274-A277 PolarHBondContact O-N 2.78Å; S274-A277 WeakPolarHBondContact OG-CB 3.31Å; S274-A277 PolarHBondContact OG-N 3.46Å; A277-D279 VanDerWaalsContact C-N 3.31Å; A277-D279 PolarHBondContact O-N 3.29Å; A277-L280 PolarHBondContact O-N 3.09Å; A277-I281 VanDerWaalsContact O-CG1 3.32Å; A277-I281 WeakPolarHBondContact O-CG1 3.33Å; A277-I281 PolarHBondContact O-N 3.01Å; A277-W303 HydrophobicContact CB-CD2 4.13Å; A277-W303 HydrophobicContact CB-CG 4.41Å; A277-W303 HydrophobicContact CB-CZ2 3.89Å
278	S	98.5	Very high	96.8	Very high	22 Å²	22	59.8 Å²	59.8	15%	0.154	32%	0.321	C	S	.	.	H	α-helix	trans	-58.7	-42	178	-176.6	0	0	0	0	112.2	I269 S274 P275 I281 Q282	I269-S278 WeakPolarHBondContact CD1-OG 3.42Å; S274-S278 WeakPolarHBondContact O-CB 3.16Å; S274-S278 PolarHBondContact O-N 3.06Å; P275-S278 PolarHBondContact O-N 3.48Å; S278-I281 PolarHBondContact O-N 2.89Å; S278-Q282 WeakPolarHBondContact O-CB 3.47Å; S278-Q282 WeakPolarHBondContact O-CG 3.35Å; S278-Q282 PolarHBondContact O-N 3.14Å; S278-Q282 PolarHBondContact O-NE2 2.87Å; S278-Q282 VanDerWaalsContact O-NE2 3.15Å; S278-Q282 PolarHBondContact OG-NE2 2.79Å
279	D	98.6	Very high	96.5	Very high	82 Å²	82	52.8 Å²	52.8	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-44.3	175.7	-176.3	56.5	0	0	0	112.1	P275 A277 Q282 S283 H301	P275-D279 WeakPolarHBondContact O-CB 3.45Å; P275-D279 PolarHBondContact O-N 3.45Å; A277-D279 VanDerWaalsContact C-N 3.31Å; A277-D279 PolarHBondContact O-N 3.29Å; D279-Q282 PolarHBondContact O-N 2.75Å; D279-S283 WeakPolarHBondContact O-CB 3.48Å; D279-S283 PolarHBondContact O-N 2.99Å; D279-S283 PolarHBondContact O-OG 3.21Å; D279-H301 IonicContact OD2-CE1 3.51Å; D279-H301 IonicContact OD2-NE2 3.07Å; D279-H301 PolarHBondContact OD2-NE2 3.43Å
280	L	98.7	Very high	96.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-43.2	177	-177.2	53.8	0	0	0	112.2	I157 L240 G276 A277 S283 L284 L293 V298 H301 W303 I304	I157-L280 HydrophobicContact CG2-CD2 4.41Å; L240-L280 HydrophobicContact CD2-CB 4.04Å; L240-L280 HydrophobicContact CD2-CD2 3.66Å; L240-L280 HydrophobicContact CD2-CG 3.71Å; G276-L280 PolarHBondContact O-N 3.41Å; A277-L280 PolarHBondContact O-N 3.09Å; L280-S283 PolarHBondContact O-N 3.09Å; L280-L284 HydrophobicContact CD1-CD1 3.98Å; L280-L284 HydrophobicContact CD1-CG 4.29Å; L280-L284 HydrophobicContact CG-CD1 4.2Å; L280-L284 PolarHBondContact O-N 3.07Å; L280-L284 VanDerWaalsContact O-N 3.12Å; L280-L293 HydrophobicContact CD1-CD2 3.79Å; L280-V298 HydrophobicContact CD1-CG1 4.34Å; L280-V298 HydrophobicContact CD1-CG2 4.4Å; L280-H301 HydrophobicContact CD1-CB 4.3Å; L280-W303 HydrophobicContact CD2-CE3 3.84Å; L280-W303 HydrophobicContact CD2-CZ3 4.26Å; L280-I304 HydrophobicContact CD2-CD1 3.98Å; L280-I304 HydrophobicContact CD2-CG1 3.83Å
281	I	98.7	Very high	96	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.2	-51.2	176.4	-68.8	166.9	0	0	0	110.1	L240 Y241 Y267 I269 V273 A277 S278 S283 L284 I285	L240-I281 HydrophobicContact CB-CG1 4.25Å; L240-I281 HydrophobicContact CD2-CG1 3.71Å; L240-I281 HydrophobicContact CG-CD1 4.19Å; L240-I281 HydrophobicContact CG-CG1 3.69Å; Y241-I281 HydrophobicContact CD2-CD1 4.34Å; Y241-I281 HydrophobicContact CD2-CG2 4.27Å; Y267-I281 HydrophobicContact CE2-CG2 3.93Å; I269-I281 HydrophobicContact CD1-CB 4.11Å; I269-I281 HydrophobicContact CD1-CG2 3.87Å; I269-I281 HydrophobicContact CG1-CG2 4.48Å; V273-I281 HydrophobicContact CG1-CD1 4.3Å; A277-I281 VanDerWaalsContact O-CG1 3.32Å; A277-I281 WeakPolarHBondContact O-CG1 3.33Å; A277-I281 PolarHBondContact O-N 3.01Å; S278-I281 PolarHBondContact O-N 2.89Å; I281-S283 PolarHBondContact O-N 3.23Å; I281-L284 PolarHBondContact O-N 3.28Å; I281-L284 VanDerWaalsContact O-N 3.17Å; I281-I285 HydrophobicContact CG2-CD1 3.74Å; I281-I285 HydrophobicContact CG2-CG1 4.3Å; I281-I285 WeakPolarHBondContact O-CG1 3.32Å; I281-I285 PolarHBondContact O-N 2.95Å
282	Q	98	Very high	96	Very high	100 Å²	100	46.4 Å²	46.4	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-67.4	-25.8	179.8	-70.2	174.4	90.2	0	0	113.1	I269 S278 D279 L284 K286	I269-Q282 HydrophobicContact CD1-CG 3.72Å; S278-Q282 WeakPolarHBondContact O-CB 3.47Å; S278-Q282 WeakPolarHBondContact O-CG 3.35Å; S278-Q282 PolarHBondContact O-N 3.14Å; S278-Q282 PolarHBondContact O-NE2 2.87Å; S278-Q282 VanDerWaalsContact O-NE2 3.15Å; S278-Q282 PolarHBondContact OG-NE2 2.79Å; D279-Q282 PolarHBondContact O-N 2.75Å; Q282-L284 VanDerWaalsContact C-N 3.35Å; Q282-K286 VanDerWaalsContact O-CE 3.22Å; Q282-K286 WeakPolarHBondContact O-CE 3.36Å; Q282-K286 VanDerWaalsContact O-CG 3.28Å; Q282-K286 WeakPolarHBondContact O-CG 3.46Å
283	S	97.9	Very high	96	Very high	20 Å²	20	42.9 Å²	42.9	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-73.2	-26.5	174.7	-71	0	0	0	0	113	D279 L280 I281 R292 L293	D279-S283 WeakPolarHBondContact O-CB 3.48Å; D279-S283 PolarHBondContact O-N 2.99Å; D279-S283 PolarHBondContact O-OG 3.21Å; L280-S283 PolarHBondContact O-N 3.09Å; I281-S283 PolarHBondContact O-N 3.23Å; S283-R292 WeakPolarHBondContact O-CA 3.43Å; S283-L293 PolarHBondContact O-N 3.27Å
284	L	97.8	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-95.9	-42.5	178.8	-72.9	169.9	0	0	0	113.3	L233 L236 L280 I281 Q282 K286 R292 L293 V298	L233-L284 HydrophobicContact CB-CD2 4.1Å; L233-L284 HydrophobicContact CG-CD2 4.41Å; L236-L284 HydrophobicContact CD2-CD1 4.39Å; L236-L284 HydrophobicContact CG-CD1 4.28Å; L280-L284 HydrophobicContact CD1-CD1 3.98Å; L280-L284 HydrophobicContact CD1-CG 4.29Å; L280-L284 HydrophobicContact CG-CD1 4.2Å; L280-L284 PolarHBondContact O-N 3.07Å; L280-L284 VanDerWaalsContact O-N 3.12Å; I281-L284 PolarHBondContact O-N 3.28Å; I281-L284 VanDerWaalsContact O-N 3.17Å; Q282-L284 VanDerWaalsContact C-N 3.35Å; L284-K286 PolarHBondContact O-N 3.48Å; L284-K286 VanDerWaalsContact O-N 3.11Å; L284-R292 VanDerWaalsContact O-CD 3.3Å; L284-R292 WeakPolarHBondContact O-CD 3.3Å; L284-R292 VanDerWaalsContact O-CG 3.3Å; L284-R292 WeakPolarHBondContact O-CG 3.21Å; L284-L293 HydrophobicContact CD2-CB 4.31Å; L284-V298 HydrophobicContact CD1-CG2 4.41Å; L284-V298 HydrophobicContact CD2-CG2 3.8Å; L284-V298 HydrophobicContact CG-CG2 4.46Å
285	I	97	Very high	95.8	Very high	4 Å²	4	44 Å²	44	2%	0.021	26%	0.26	C	S	.	.	S	Bend	trans	-87	79.7	-179.4	-53.1	-176.9	0	0	0	109.3	W234 V238 P249 F250 Y267 I281	W234-I285 HydrophobicContact CD2-CG2 4.32Å; W234-I285 HydrophobicContact CE3-CG2 3.93Å; W234-I285 HydrophobicContact CH2-CG2 3.66Å; W234-I285 HydrophobicContact CZ2-CG2 4.06Å; W234-I285 HydrophobicContact CZ3-CG2 3.58Å; V238-I285 HydrophobicContact CG2-CD1 4.23Å; P249-I285 HydrophobicContact CG-CD1 4.05Å; F250-I285 HydrophobicContact CE2-CG2 4.08Å; F250-I285 HydrophobicContact CZ-CG2 3.57Å; Y267-I285 HydrophobicContact CD1-CG2 4.29Å; Y267-I285 HydrophobicContact CE1-CB 4.19Å; Y267-I285 HydrophobicContact CE1-CG2 3.6Å; Y267-I285 HydrophobicContact CE2-CD1 4.38Å; I281-I285 HydrophobicContact CG2-CD1 3.74Å; I281-I285 HydrophobicContact CG2-CG1 4.3Å; I281-I285 WeakPolarHBondContact O-CG1 3.32Å; I281-I285 PolarHBondContact O-N 2.95Å
286	K	94.8	Very high	95.6	Very high	76 Å²	76	43.6 Å²	43.6	33%	0.33	25%	0.248	S	C	.	.			trans	-122	141.4	174.6	-66.9	-179.5	179.2	171.5	0	112.1	W234 Q282 L284 I288 S291 R292	W234-K286 WeakPolarHBondContact CZ3-O 3.48Å; Q282-K286 VanDerWaalsContact O-CE 3.22Å; Q282-K286 WeakPolarHBondContact O-CE 3.36Å; Q282-K286 VanDerWaalsContact O-CG 3.28Å; Q282-K286 WeakPolarHBondContact O-CG 3.46Å; L284-K286 PolarHBondContact O-N 3.48Å; L284-K286 VanDerWaalsContact O-N 3.11Å; K286-I288 VanDerWaalsContact C-N 3.31Å; K286-I288 PolarHBondContact O-N 3.15Å; K286-S291 WeakPolarHBondContact CD-O 3.48Å; K286-S291 PolarHBondContact NZ-O 3.2Å; K286-R292 HydrophobicContact CB-CG 4.09Å; K286-R292 PolarHBondContact O-NE 3.32Å; K286-R292 PolarHBondContact O-NH2 3.44Å; K286-R292 VanDerWaalsContact O-NH2 3.12Å
287	L	90.5	Very high	95.6	Very high	78 Å²	78	50.6 Å²	50.6	41%	0.408	27%	0.266	S	S	.	.	S	Bend	trans	-56	-45.2	174.9	-77.3	173.5	0	0	0	112	P218 V263 C265 P289	P218-L287 HydrophobicContact CB-CD2 4.41Å; P218-L287 HydrophobicContact CG-CD2 4.08Å; V263-L287 WeakPolarHBondContact O-CD2 3.46Å; C265-L287 HydrophobicContact CB-CD1 4.05Å; C265-L287 HydrophobicContact CB-CD2 3.43Å; C265-L287 VanDerWaalsContact CB-CD2 3.43Å; C265-L287 HydrophobicContact CB-CG 3.38Å; L287-P289 VanDerWaalsContact O-CD 3.28Å; L287-P289 WeakPolarHBondContact O-CD 3.34Å
288	I	89.7	Confident	95.5	Very high	99 Å²	99	50.6 Å²	50.6	51%	0.508	27%	0.266	S	S	.	.	S	Bend	trans	-83.2	113.6	-179.7	-58.5	176.6	0	0	0	108.3	K286 S290 S291	K286-I288 VanDerWaalsContact C-N 3.31Å; K286-I288 PolarHBondContact O-N 3.15Å; I288-S290 VanDerWaalsContact C-N 3.32Å; I288-S290 WeakPolarHBondContact CG2-OG 3.48Å; I288-S290 PolarHBondContact O-N 3.41Å; I288-S291 WeakPolarHBondContact CG2-OG 3.38Å; I288-S291 WeakPolarHBondContact O-CB 3.47Å; I288-S291 PolarHBondContact O-N 2.94Å
289	P	89.7	Confident	95.4	Very high	33 Å²	33	51.5 Å²	51.5	21%	0.214	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-60.8	-37.7	-174.1	-25.5	36.2	0	0	0	113.7	E219 P230 L287 S291 R292	E219-P289 HydrophobicContact CB-CG 4.17Å; E219-P289 HydrophobicContact CG-CG 4.03Å; P230-P289 HydrophobicContact CB-CB 3.6Å; P230-P289 HydrophobicContact CG-CB 3.85Å; L287-P289 VanDerWaalsContact O-CD 3.28Å; L287-P289 WeakPolarHBondContact O-CD 3.34Å; P289-S291 PolarHBondContact O-N 3.21Å; P289-R292 WeakPolarHBondContact O-CB 3.33Å; P289-R292 WeakPolarHBondContact O-CG 3.35Å; P289-R292 PolarHBondContact O-N 3.26Å
290	S	89.2	Confident	95.3	Very high	107 Å²	107	50.7 Å²	50.7	75%	0.748	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-70.6	-14.3	178	55	0	0	0	0	114.1	I288	I288-S290 VanDerWaalsContact C-N 3.32Å; I288-S290 WeakPolarHBondContact CG2-OG 3.48Å; I288-S290 PolarHBondContact O-N 3.41Å
291	S	93.6	Very high	95.3	Very high	56 Å²	56	51.3 Å²	51.3	39%	0.392	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-89.2	-7.1	177.1	-55.1	0	0	0	0	113.4	K286 I288 P289	K286-S291 WeakPolarHBondContact CD-O 3.48Å; K286-S291 PolarHBondContact NZ-O 3.2Å; I288-S291 WeakPolarHBondContact CG2-OG 3.38Å; I288-S291 WeakPolarHBondContact O-CB 3.47Å; I288-S291 PolarHBondContact O-N 2.94Å; P289-S291 PolarHBondContact O-N 3.21Å
292	R	96	Very high	95.3	Very high	8 Å²	8	56 Å²	56	3%	0.03	31%	0.305	C	S	.	.	S	Bend	trans	-69.6	145	178.4	-60.1	-178.4	-172.2	147.5	9.3	110.5	E219 P230 L233 S283 L284 K286 P289 P294	E219-R292 IonicContact OE1-CZ 2.86Å; E219-R292 IonicContact OE1-NH1 3.86Å; E219-R292 PolarHBondContact OE1-NH1 3.48Å; E219-R292 IonicContact OE1-NH2 3.39Å; E219-R292 PolarHBondContact OE1-NH2 3.24Å; E219-R292 IonicContact OE2-CZ 2.65Å; E219-R292 IonicContact OE2-NH1 3.2Å; E219-R292 IonicContact OE2-NH2 3.38Å; E219-R292 PolarHBondContact OE2-NH2 3.24Å; P230-R292 PolarHBondContact O-NH1 2.81Å; L233-R292 HydrophobicContact CB-CB 4.4Å; L233-R292 HydrophobicContact CD2-CB 3.99Å; S283-R292 WeakPolarHBondContact O-CA 3.43Å; L284-R292 VanDerWaalsContact O-CD 3.3Å; L284-R292 WeakPolarHBondContact O-CD 3.3Å; L284-R292 VanDerWaalsContact O-CG 3.3Å; L284-R292 WeakPolarHBondContact O-CG 3.21Å; K286-R292 HydrophobicContact CB-CG 4.09Å; K286-R292 PolarHBondContact O-NE 3.32Å; K286-R292 PolarHBondContact O-NH2 3.44Å; K286-R292 VanDerWaalsContact O-NH2 3.12Å; P289-R292 WeakPolarHBondContact O-CB 3.33Å; P289-R292 WeakPolarHBondContact O-CG 3.35Å; P289-R292 PolarHBondContact O-N 3.26Å; R292-P294 WeakPolarHBondContact O-CD 3.5Å
293	L	96.7	Very high	95.3	Very high	29 Å²	29	51.7 Å²	51.7	15%	0.152	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-65.2	122.6	-178.9	-170.6	69.2	0	0	0	111.1	L233 L280 S283 L284 R297 V298	L233-L293 WeakPolarHBondContact CD2-O 3.42Å; L280-L293 HydrophobicContact CD1-CD2 3.79Å; S283-L293 PolarHBondContact O-N 3.27Å; L284-L293 HydrophobicContact CD2-CB 4.31Å; L293-R297 HydrophobicContact CD1-CB 3.66Å; L293-R297 HydrophobicContact CD1-CG 4.47Å; L293-R297 HydrophobicContact CD2-CB 4.32Å; L293-R297 HydrophobicContact CG-CB 3.84Å; L293-V298 HydrophobicContact CD2-CG2 4.02Å; L293-V298 HydrophobicContact CG-CG2 4.31Å
294	P	95.6	Very high	95.3	Very high	60 Å²	60	50.8 Å²	50.8	39%	0.39	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-57.8	146	176.1	-25.5	35	0	0	0	112.3	R292 E296 R297 V298	R292-P294 WeakPolarHBondContact O-CD 3.5Å; P294-E296 PolarHBondContact O-N 3.06Å; P294-R297 WeakPolarHBondContact O-CA 3.32Å; P294-R297 WeakPolarHBondContact O-CB 3.17Å; P294-R297 PolarHBondContact O-N 3.07Å; P294-V298 PolarHBondContact O-N 2.92Å
295	L	95.9	Very high	95.2	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-33.7	-175	-65.8	167.1	0	0	0	112.8	A161 L164 I165 L233 L236 R297 V298 K299	A161-L295 HydrophobicContact CB-CD2 4.27Å; L164-L295 HydrophobicContact CB-CD1 3.53Å; L164-L295 HydrophobicContact CB-CD2 4.32Å; L164-L295 HydrophobicContact CD1-CD2 4.19Å; I165-L295 HydrophobicContact CD1-CB 3.9Å; I165-L295 HydrophobicContact CG1-CB 3.44Å; I165-L295 VanDerWaalsContact CG1-CB 3.44Å; I165-L295 HydrophobicContact CG1-CD1 4.12Å; I165-L295 HydrophobicContact CG1-CG 4.43Å; L233-L295 HydrophobicContact CD1-CD1 3.98Å; L233-L295 HydrophobicContact CD1-CD2 3.95Å; L233-L295 HydrophobicContact CD1-CG 3.73Å; L233-L295 HydrophobicContact CG-CD2 4.08Å; L233-L295 HydrophobicContact CG-CG 4.13Å; L236-L295 HydrophobicContact CD2-CD2 3.78Å; L295-R297 PolarHBondContact O-N 3.49Å; L295-V298 WeakPolarHBondContact O-CB 3.41Å; L295-V298 PolarHBondContact O-N 2.87Å; L295-V298 VanDerWaalsContact O-N 3.15Å; L295-K299 PolarHBondContact O-N 3.21Å
296	E	94.4	Very high	95.2	Very high	108 Å²	108	59 Å²	59	51%	0.505	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-37.4	174.3	-66.8	73.7	-163.7	0	0	111.5	I165 P294	I165-E296 HydrophobicContact CD1-CG 4.3Å; P294-E296 PolarHBondContact O-N 3.06Å
297	R	97.2	Very high	95.4	Very high	175 Å²	175	57.2 Å²	57.2	66%	0.66	33%	0.326	S	S	*	.	H	α-helix	trans	-80.3	-27.2	176.9	-71	-171.8	164	-173.7	-4.1	112.8	L293 P294 L295 K299 A300 H301	L293-R297 HydrophobicContact CD1-CB 3.66Å; L293-R297 HydrophobicContact CD1-CG 4.47Å; L293-R297 HydrophobicContact CD2-CB 4.32Å; L293-R297 HydrophobicContact CG-CB 3.84Å; P294-R297 WeakPolarHBondContact O-CA 3.32Å; P294-R297 WeakPolarHBondContact O-CB 3.17Å; P294-R297 PolarHBondContact O-N 3.07Å; L295-R297 PolarHBondContact O-N 3.49Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.05Å; R297-A300 CarbonylContact O-C 3.49Å; R297-A300 PolarHBondContact O-N 3.06Å; R297-H301 PolarHBondContact O-N 3.44Å
298	V	98	Very high	95.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-57.9	-47.9	171.6	175.4	0	0	0	0	110.2	I157 A161 L236 L280 L284 L293 P294 L295 A300 H301 I304	I157-V298 HydrophobicContact CG2-CG1 3.8Å; A161-V298 HydrophobicContact CB-CB 4.24Å; A161-V298 HydrophobicContact CB-CG1 3.95Å; L236-V298 HydrophobicContact CD2-CG1 4.25Å; L280-V298 HydrophobicContact CD1-CG1 4.34Å; L280-V298 HydrophobicContact CD1-CG2 4.4Å; L284-V298 HydrophobicContact CD1-CG2 4.41Å; L284-V298 HydrophobicContact CD2-CG2 3.8Å; L284-V298 HydrophobicContact CG-CG2 4.46Å; L293-V298 HydrophobicContact CD2-CG2 4.02Å; L293-V298 HydrophobicContact CG-CG2 4.31Å; P294-V298 PolarHBondContact O-N 2.92Å; L295-V298 WeakPolarHBondContact O-CB 3.41Å; L295-V298 PolarHBondContact O-N 2.87Å; L295-V298 VanDerWaalsContact O-N 3.15Å; V298-A300 PolarHBondContact O-N 3.08Å; V298-H301 WeakPolarHBondContact O-CB 3.36Å; V298-H301 PolarHBondContact O-N 3.37Å; V298-H301 VanDerWaalsContact O-N 3.09Å; V298-I304 WeakPolarHBondContact O-CG1 3.37Å
299	K	95.9	Very high	95.8	Very high	41 Å²	41	59 Å²	59	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-26.8	179.6	-67.9	178.7	65.3	-175.7	0	114	Y158 A161 D162 I165 L295 R297	Y158-K299 HydrophobicContact CD2-CB 4.08Å; Y158-K299 HydrophobicContact CD2-CG 4.09Å; Y158-K299 HydrophobicContact CE2-CB 3.88Å; Y158-K299 HydrophobicContact CE2-CD 4.4Å; Y158-K299 VanDerWaalsContact CE2-CE 3.5Å; Y158-K299 HydrophobicContact CE2-CG 4.05Å; Y158-K299 VanDerWaalsContact OH-CE 3.23Å; Y158-K299 WeakPolarHBondContact OH-CE 3.47Å; A161-K299 HydrophobicContact CB-CG 3.88Å; D162-K299 HydrophobicContact CB-CD 4.31Å; D162-K299 IonicContact OD1-NZ 3.37Å; D162-K299 PolarHBondContact OD1-NZ 3.29Å; I165-K299 HydrophobicContact CD1-CD 3.6Å; I165-K299 HydrophobicContact CD1-CG 4.44Å; L295-K299 PolarHBondContact O-N 3.21Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.05Å
300	A	96.1	Very high	95.4	Very high	65 Å²	65	57.9 Å²	57.9	54%	0.537	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	5.3	179.6	0	0	0	0	0	113	R297 V298	R297-A300 CarbonylContact O-C 3.49Å; R297-A300 PolarHBondContact O-N 3.06Å; V298-A300 PolarHBondContact O-N 3.08Å
301	H	98.3	Very high	95	Very high	13 Å²	13	58.5 Å²	58.5	6%	0.06	32%	0.32	C	S	.	.			trans	-62.7	138.3	-177.1	-168.9	-91.6	0	0	0	110.7	D279 L280 R297 V298 W303 I304 M305	D279-H301 IonicContact OD2-CE1 3.51Å; D279-H301 IonicContact OD2-NE2 3.07Å; D279-H301 PolarHBondContact OD2-NE2 3.43Å; L280-H301 HydrophobicContact CD1-CB 4.3Å; R297-H301 PolarHBondContact O-N 3.44Å; V298-H301 WeakPolarHBondContact O-CB 3.36Å; V298-H301 PolarHBondContact O-N 3.37Å; V298-H301 VanDerWaalsContact O-N 3.09Å; H301-W303 WeakPolarHBondContact ND1-CB 3.5Å; H301-W303 PolarHBondContact ND1-N 3Å; H301-W303 PolarHBondContact O-N 2.96Å; H301-W303 VanDerWaalsContact O-N 3.13Å; H301-I304 HydrophobicContact CB-CB 4.4Å; H301-I304 HydrophobicContact CB-CG1 4.14Å; H301-I304 WeakPolarHBondContact O-CB 3.48Å; H301-I304 PolarHBondContact O-N 3.2Å; H301-M305 WeakPolarHBondContact O-CG 3.45Å; H301-M305 PolarHBondContact O-N 3.35Å
302	P	97.9	Very high	93.9	Very high	97 Å²	97	60 Å²	60	63%	0.63	34%	0.344	S	S	*	.	H	α-helix	trans	-51.7	-42.1	-177	-29.8	35.7	0	0	0	113.6	I304 M305 A306	P302-I304 PolarHBondContact O-N 3.44Å; P302-M305 PolarHBondContact O-N 2.73Å; P302-A306 WeakPolarHBondContact O-CB 3.49Å; P302-A306 PolarHBondContact O-N 3.13Å
303	W	98.5	Very high	91.6	Very high	11 Å²	11	69.6 Å²	69.6	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-38.5	177.6	-177.6	78.7	0	0	0	113.8	E150 A153 A154 L240 L244 S274 G276 A277 L280 H301 N307	E150-W303 HydrophobicContact CB-CZ2 3.74Å; E150-W303 HydrophobicContact CG-CZ2 3.95Å; E150-W303 PolarHBondContact OE2-NE1 2.81Å; A153-W303 HydrophobicContact CB-CH2 4.01Å; A154-W303 HydrophobicContact CB-CE3 4.38Å; A154-W303 HydrophobicContact CB-CH2 3.92Å; A154-W303 HydrophobicContact CB-CZ3 3.82Å; L240-W303 HydrophobicContact CD1-CH2 3.6Å; L240-W303 HydrophobicContact CD1-CZ3 3.78Å; L240-W303 HydrophobicContact CD2-CZ3 4.27Å; L244-W303 HydrophobicContact CD1-CZ2 4.3Å; S274-W303 PolarHBondContact OG-NE1 3.13Å; G276-W303 VanDerWaalsContact C-CD1 3.46Å; G276-W303 VanDerWaalsContact C-CG 3.47Å; G276-W303 WeakPolarHBondContact O-CB 3.19Å; A277-W303 HydrophobicContact CB-CD2 4.13Å; A277-W303 HydrophobicContact CB-CG 4.41Å; A277-W303 HydrophobicContact CB-CZ2 3.89Å; L280-W303 HydrophobicContact CD2-CE3 3.84Å; L280-W303 HydrophobicContact CD2-CZ3 4.26Å; H301-W303 WeakPolarHBondContact ND1-CB 3.5Å; H301-W303 PolarHBondContact ND1-N 3Å; H301-W303 PolarHBondContact O-N 2.96Å; H301-W303 VanDerWaalsContact O-N 3.13Å; W303-N307 PolarHBondContact NE1-ND2 3.15Å; W303-N307 WeakPolarHBondContact O-CB 3.49Å; W303-N307 PolarHBondContact O-N 3.31Å; W303-N307 PolarHBondContact O-ND2 3.41Å
304	I	98.3	Very high	91.4	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-66.8	-48.1	176	-66.5	-68.6	0	0	0	109.5	A154 I157 Y158 L280 V298 H301 P302 A306 N307 Y308	A154-I304 HydrophobicContact CB-CD1 4Å; I157-I304 HydrophobicContact CB-CD1 4.07Å; I157-I304 HydrophobicContact CG2-CD1 3.94Å; Y158-I304 HydrophobicContact CD2-CG2 3.92Å; L280-I304 HydrophobicContact CD2-CD1 3.98Å; L280-I304 HydrophobicContact CD2-CG1 3.83Å; V298-I304 WeakPolarHBondContact O-CG1 3.37Å; H301-I304 HydrophobicContact CB-CB 4.4Å; H301-I304 HydrophobicContact CB-CG1 4.14Å; H301-I304 WeakPolarHBondContact O-CB 3.48Å; H301-I304 PolarHBondContact O-N 3.2Å; P302-I304 PolarHBondContact O-N 3.44Å; I304-A306 VanDerWaalsContact C-N 3.27Å; I304-A306 PolarHBondContact O-N 3.28Å; I304-N307 PolarHBondContact O-N 3.24Å; I304-N307 VanDerWaalsContact O-N 3.13Å; I304-Y308 PolarHBondContact O-N 3.05Å
305	M	96.6	Very high	91.1	Very high	93 Å²	93	72.2 Å²	72.2	46%	0.458	40%	0.398	S	S	.	.	H	α-helix	trans	-63.1	-32.2	-178.8	-64.7	-60.7	-62.1	0	0	113	H301 P302	H301-M305 WeakPolarHBondContact O-CG 3.45Å; H301-M305 PolarHBondContact O-N 3.35Å; P302-M305 PolarHBondContact O-N 2.73Å
306	A	97.4	Very high	90.9	Very high	83 Å²	83	75.9 Å²	75.9	69%	0.686	42%	0.419	S	S	*	.	H	α-helix	trans	-73.1	-30.8	176.2	0	0	0	0	0	113.2	P302 I304	P302-A306 WeakPolarHBondContact O-CB 3.49Å; P302-A306 PolarHBondContact O-N 3.13Å; I304-A306 VanDerWaalsContact C-N 3.27Å; I304-A306 PolarHBondContact O-N 3.28Å
307	N	97.8	Very high	90.7	Very high	39 Å²	39	74 Å²	74	21%	0.209	41%	0.414	C	S	.	.	H	α-helix	trans	-107.2	-18.6	-171	-78.9	-69.6	0	0	0	114.5	A154 W303 I304	A154-N307 HydrophobicContact CB-CB 3.48Å; A154-N307 VanDerWaalsContact CB-CB 3.48Å; W303-N307 PolarHBondContact NE1-ND2 3.15Å; W303-N307 WeakPolarHBondContact O-CB 3.49Å; W303-N307 PolarHBondContact O-N 3.31Å; W303-N307 PolarHBondContact O-ND2 3.41Å; I304-N307 PolarHBondContact O-N 3.24Å; I304-N307 VanDerWaalsContact O-N 3.13Å
308	Y	96.8	Very high	90.3	Very high	37 Å²	37	67.7 Å²	67.7	15%	0.145	40%	0.398	C	S	.	.			trans	-143.8	125.7	-179.1	-178.1	-116.6	0	0	0	112.1	K155 Y158 I304 P310	K155-Y308 HydrophobicContact CB-CD2 3.59Å; K155-Y308 HydrophobicContact CB-CE2 3.77Å; K155-Y308 HydrophobicContact CB-CG 4.02Å; K155-Y308 HydrophobicContact CD-CE2 4.13Å; K155-Y308 HydrophobicContact CG-CD2 3.96Å; K155-Y308 HydrophobicContact CG-CE1 4.49Å; K155-Y308 HydrophobicContact CG-CE2 3.56Å; Y158-Y308 HydrophobicContact CD1-CD1 4.11Å; Y158-Y308 AromaticContact CD1-CE1 3.56Å; Y158-Y308 HydrophobicContact CD1-CE1 3.56Å; Y158-Y308 HydrophobicContact CD2-CD1 4.15Å; Y158-Y308 HydrophobicContact CD2-CE1 4.36Å; Y158-Y308 HydrophobicContact CE1-CE1 4.19Å; Y158-Y308 AromaticContact CG-CD1 3.71Å; Y158-Y308 HydrophobicContact CG-CD1 3.71Å; Y158-Y308 AromaticContact CG-CE1 3.67Å; Y158-Y308 HydrophobicContact CG-CE1 3.67Å; I304-Y308 PolarHBondContact O-N 3.05Å; Y308-P310 HydrophobicContact CE1-CB 4.03Å
309	K	91.2	Very high	89.7	Confident	177 Å²	177	72.2 Å²	72.2	77%	0.77	43%	0.425	S	S	*	.			trans	-105	110.7	171.6	-65.3	-175	-178.9	-176.1	0	108.5
310	P	82.5	Confident	89.3	Confident	11 Å²	11	74.4 Å²	74.4	7%	0.071	44%	0.442	C	S	.	.			trans	-66.4	143.9	177.8	27.7	-33.7	0	0	0	110.2	Y158 Y308 G312 K313	Y158-P310 HydrophobicContact CE1-CB 3.76Å; Y158-P310 HydrophobicContact CE1-CG 4.44Å; Y158-P310 HydrophobicContact CE2-CB 4.12Å; Y158-P310 HydrophobicContact CE2-CG 3.91Å; Y158-P310 WeakPolarHBondContact OH-CB 3.06Å; Y308-P310 HydrophobicContact CE1-CB 4.03Å; P310-G312 PolarHBondContact O-N 2.63Å; P310-K313 HydrophobicContact CG-CD 4.12Å; P310-K313 HydrophobicContact CG-CG 4.44Å
311	P	79.7	Confident	88.8	Confident	120 Å²	120	75.2 Å²	75.2	78%	0.779	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	135.1	177.3	23.7	-31.7	0	0	0	110.9
312	G	70.4	Confident	88	Confident	87 Å²	87	80.3 Å²	80.3	90%	0.897	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.5	12.6	178.1	0	0	0	0	0	116.1	P310	P310-G312 PolarHBondContact O-N 2.63Å
313	K	49.1	Very low	87.1	Confident	209 Å²	209	78.8 Å²	78.8	91%	0.909	45%	0.451	S	S	*	.			trans	-121.8	0	163.9	-69.2	-168.3	179.4	-175	0	110	P310	P310-K313 HydrophobicContact CG-CD 4.12Å; P310-K313 HydrophobicContact CG-CG 4.44Å

Retrieved 313 of 313 residues in 166.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).